5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one

C9H11N5OS — CID 136975652

IUPAC5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ncsc1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H11N5OS/c1-5-6(16-4-14-5)2-11-8-7(10)9(15)13-3-12-8/h3-4H,2,10H2,1H3,(H2,11,12,13,15)
InChIKeyGFJOLYOPIKYNCL-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.73
Rot. Bonds3

About 5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136975652) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136975652
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ncsc1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H11N5OS/c1-5-6(16-4-14-5)2-11-8-7(10)9(15)13-3-12-8/h3-4H,2,10H2,1H3,(H2,11,12,13,15)
InChIKeyGFJOLYOPIKYNCL-UHFFFAOYSA-N
XLogP0.73
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672
5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136976291
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 137016701
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 63280474
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357
5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679983
3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 114074457
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine
CID 106572943
3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one (CID 136975652) is 5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one is Cc1ncsc1CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GFJOLYOPIKYNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-6(16-4-14-5)2-11-8-7(10)9(15)13-3-12-8/h3-4H,2,10H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).