6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine

C12H15ClN4OS — CID 114131055

IUPAC6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(NC(C)(C)c2nccs2)n1
InChIInChI=1S/C12H15ClN4OS/c1-12(2,11-14-4-5-19-11)17-9-6-8(13)15-10(16-9)7-18-3/h4-6H,7H2,1-3H3,(H,15,16,17)
InChIKeyDUGILGJQDRWBFP-UHFFFAOYSA-N
MW298.80 g/mol
LogP3.08
Rot. Bonds5

About 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine

6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine (PubChem CID 114131055) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
PubChem CID114131055
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(NC(C)(C)c2nccs2)n1
InChIInChI=1S/C12H15ClN4OS/c1-12(2,11-14-4-5-19-11)17-9-6-8(13)15-10(16-9)7-18-3/h4-6H,7H2,1-3H3,(H,15,16,17)
InChIKeyDUGILGJQDRWBFP-UHFFFAOYSA-N
XLogP3.08
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 113401003
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106178835
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 114093885
6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
CID 114131317
4-chloro-6-(3-chlorothiophen-2-yl)-2-(methoxymethyl)pyrimidine
CID 107360954
2-(methoxymethyl)-6-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 113401430
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 113401015
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine (CID 114131055) is 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine is COCc1nc(Cl)cc(NC(C)(C)c2nccs2)n1.
What is the InChIKey of 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is DUGILGJQDRWBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-12(2,11-14-4-5-19-11)17-9-6-8(13)15-10(16-9)7-18-3/h4-6H,7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine?
6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 298.80 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 114131055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).