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

C10H11ClN4OS — CID 136971313

IUPAC5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1ncsc1CN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H11ClN4OS/c1-6-7(17-5-14-6)3-15(2)9-8(11)10(16)13-4-12-9/h4-5H,3H2,1-2H3,(H,12,13,16)
InChIKeyYAGKREKZVGMKCQ-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.82
Rot. Bonds3

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

5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one (PubChem CID 136971313) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one
PubChem CID136971313
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1ncsc1CN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H11ClN4OS/c1-6-7(17-5-14-6)3-15(2)9-8(11)10(16)13-4-12-9/h4-5H,3H2,1-2H3,(H,12,13,16)
InChIKeyYAGKREKZVGMKCQ-UHFFFAOYSA-N
XLogP1.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136970695
6-chloro-N,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 63838232
5-chloro-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009951
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007500
2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine
CID 114785264
5-(aminomethyl)-3-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63837907
5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975652
5-chloro-4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137009662
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide
CID 64992231
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
5-chloro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1H-pyrimidin-6-one
CID 137009644

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one (CID 136971313) is 5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one is Cc1ncsc1CN(C)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one?
The InChIKey is YAGKREKZVGMKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-6-7(17-5-14-6)3-15(2)9-8(11)10(16)13-4-12-9/h4-5H,3H2,1-2H3,(H,12,13,16).
What are the key properties of 5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one?
5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one has a molecular weight of 270.75 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136971313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).