2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine

C13H18N6OS — CID 95826422

IUPAC2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine
SMILESCc1nc(NCc2snnc2C)cc([C@H]2COCCN2)n1
InChIInChI=1S/C13H18N6OS/c1-8-12(21-19-18-8)6-15-13-5-10(16-9(2)17-13)11-7-20-4-3-14-11/h5,11,14H,3-4,6-7H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeyNQOKPIMLDIKURD-LLVKDONJSA-N
MW306.40 g/mol
LogP1.22
Rot. Bonds4

About 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine

2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine (PubChem CID 95826422) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine
PubChem CID95826422
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine
SMILESCc1nc(NCc2snnc2C)cc([C@H]2COCCN2)n1
InChIInChI=1S/C13H18N6OS/c1-8-12(21-19-18-8)6-15-13-5-10(16-9(2)17-13)11-7-20-4-3-14-11/h5,11,14H,3-4,6-7H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeyNQOKPIMLDIKURD-LLVKDONJSA-N
XLogP1.22
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine (CID 95826422) is 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine is Cc1nc(NCc2snnc2C)cc([C@H]2COCCN2)n1.
What is the InChIKey of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is NQOKPIMLDIKURD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-8-12(21-19-18-8)6-15-13-5-10(16-9(2)17-13)11-7-20-4-3-14-11/h5,11,14H,3-4,6-7H2,1-2H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine?
2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 306.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 95826422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).