6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine

C36H58N24OS4 — CID 159408999

IUPAC6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine
SMILESCNc1cc[nH]c1.CNc1ccnc(=O)[nH]1.CNc1cnc[nH]1.CNc1cncs1.CNc1ncc[nH]1.CNc1ncc[nH]1.CNc1nccs1.CNc1ncns1.CNc1nncs1
InChIInChI=1S/C5H7N3O.C5H8N2.3C4H7N3.2C4H6N2S.2C3H5N3S/c1-6-4-2-3-7-5(9)8-4;1-6-5-2-3-7-4-5;1-5-4-2-6-3-7-4;2*1-5-4-6-2-3-7-4;1-5-4-2-6-3-7-4;1-5-4-6-2-3-7-4;1-4-3-6-5-2-7-3;1-4-3-5-2-6-7-3/h2-3H,1H3,(H2,6,7,8,9);2-4,6-7H,1H3;2-3,5H,1H3,(H,6,7);2*2-3H,1H3,(H2,5,6,7);2-3,5H,1H3;2-3H,1H3,(H,5,6);2H,1H3,(H,4,6);2H,1H3,(H,4,5,6)
InChIKeyLOIHCPFZUIBJFK-UHFFFAOYSA-N
MW971.29 g/mol
LogP5.75
Rot. Bonds9

About 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine

6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine (PubChem CID 159408999) has the molecular formula C36H58N24OS4 and a molecular weight of 971.29 g/mol. Its IUPAC name is 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine
PubChem CID159408999
Molecular FormulaC36H58N24OS4
Molecular Weight971.29 g/mol
Exact Mass970.41
IUPAC Name6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine
SMILESCNc1cc[nH]c1.CNc1ccnc(=O)[nH]1.CNc1cnc[nH]1.CNc1cncs1.CNc1ncc[nH]1.CNc1ncc[nH]1.CNc1nccs1.CNc1ncns1.CNc1nncs1
InChIInChI=1S/C5H7N3O.C5H8N2.3C4H7N3.2C4H6N2S.2C3H5N3S/c1-6-4-2-3-7-5(9)8-4;1-6-5-2-3-7-4-5;1-5-4-2-6-3-7-4;2*1-5-4-6-2-3-7-4;1-5-4-2-6-3-7-4;1-5-4-6-2-3-7-4;1-4-3-6-5-2-7-3;1-4-3-5-2-6-7-3/h2-3H,1H3,(H2,6,7,8,9);2-4,6-7H,1H3;2-3,5H,1H3,(H,6,7);2*2-3H,1H3,(H2,5,6,7);2-3,5H,1H3;2-3H,1H3,(H,5,6);2H,1H3,(H,4,6);2H,1H3,(H,4,5,6)
InChIKeyLOIHCPFZUIBJFK-UHFFFAOYSA-N
XLogP5.75
TPSA333.19 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500971.29
LogP ≤ 55.75
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine with MolForge

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Related Compounds

2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazolidin-2-yl]-1,3-thiazole
CID 141121729
1H-imidazole;1H-pyrazole;1H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157730955
2-(methylamino)-1H-pyrimidin-6-one;6-(methylamino)-1H-pyrimidin-2-one;N-methyl-1H-imidazol-2-amine;N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-2-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine
CID 159314899
1H-imidazole;octakis(2-methylpropane);2-propan-2-yl-1,3,4-thiadiazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 159409027
N-methyl-1H-imidazol-2-amine;N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-1H-pyrrol-2-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-2H-pyrrol-4-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine
CID 161841129

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine?
The IUPAC name of 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine (CID 159408999) is 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine?
The canonical SMILES for 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine is CNc1cc[nH]c1.CNc1ccnc(=O)[nH]1.CNc1cnc[nH]1.CNc1cncs1.CNc1ncc[nH]1.CNc1ncc[nH]1.CNc1nccs1.CNc1ncns1.CNc1nncs1.
What is the InChIKey of 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine?
The InChIKey is LOIHCPFZUIBJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C5H8N2.3C4H7N3.2C4H6N2S.2C3H5N3S/c1-6-4-2-3-7-5(9)8-4;1-6-5-2-3-7-4-5;1-5-4-2-6-3-7-4;2*1-5-4-6-2-3-7-4;1-5-4-2-6-3-7-4;1-5-4-6-2-3-7-4;1-4-3-6-5-2-7-3;1-4-3-5-2-6-7-3/h2-3H,1H3,(H2,6,7,8,9);2-4,6-7H,1H3;2-3,5H,1H3,(H,6,7);2*2-3H,1H3,(H2,5,6,7);2-3,5H,1H3;2-3H,1H3,(H,5,6);2H,1H3,(H,4,6);2H,1H3,(H,4,5,6).
What are the key properties of 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine?
6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine has a molecular weight of 971.29 g/mol, XLogP of 5.75, 9 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-1H-pyrimidin-2-one;bis(N-methyl-1H-imidazol-2-amine);N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 159408999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).