5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one

C10H11ClN4OS — CID 136908657

IUPAC5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(CCNc2nc[nH]c(=O)c2Cl)cs1
InChIInChI=1S/C10H11ClN4OS/c1-6-15-7(4-17-6)2-3-12-9-8(11)10(16)14-5-13-9/h4-5H,2-3H2,1H3,(H2,12,13,14,16)
InChIKeyKHEVYLGKABNGMN-UHFFFAOYSA-N
MW270.74 g/mol
LogP1.84
Rot. Bonds4

About 5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one

5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136908657) has the molecular formula C10H11ClN4OS and a molecular weight of 270.74 g/mol. Its IUPAC name is 5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136908657
Molecular FormulaC10H11ClN4OS
Molecular Weight270.74 g/mol
Exact Mass270.03
IUPAC Name5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(CCNc2nc[nH]c(=O)c2Cl)cs1
InChIInChI=1S/C10H11ClN4OS/c1-6-15-7(4-17-6)2-3-12-9-8(11)10(16)14-5-13-9/h4-5H,2-3H2,1H3,(H2,12,13,14,16)
InChIKeyKHEVYLGKABNGMN-UHFFFAOYSA-N
XLogP1.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975621
6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one
CID 136819009
5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908662
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041717
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106041779
5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975614
3,5-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 114140629
4-chloro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 106048413
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973947
4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008656

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 136908657) is 5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one is Cc1nc(CCNc2nc[nH]c(=O)c2Cl)cs1.
What is the InChIKey of 5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is KHEVYLGKABNGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-6-15-7(4-17-6)2-3-12-9-8(11)10(16)14-5-13-9/h4-5H,2-3H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one?
5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 270.74 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136908657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).