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

C11H13ClN4OS — CID 113401003

IUPAC6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(NC(C)c2nccs2)n1
InChIInChI=1S/C11H13ClN4OS/c1-7(11-13-3-4-18-11)14-9-5-8(12)15-10(16-9)6-17-2/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyXLPIQKSYWBGOGL-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.91
Rot. Bonds5

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

6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 113401003) has the molecular formula C11H13ClN4OS and a molecular weight of 284.77 g/mol. Its IUPAC name is 6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID113401003
Molecular FormulaC11H13ClN4OS
Molecular Weight284.77 g/mol
Exact Mass284.05
IUPAC Name6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(NC(C)c2nccs2)n1
InChIInChI=1S/C11H13ClN4OS/c1-7(11-13-3-4-18-11)14-9-5-8(12)15-10(16-9)6-17-2/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyXLPIQKSYWBGOGL-UHFFFAOYSA-N
XLogP2.91
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 78946443
2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile
CID 83077497
6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
CID 114131055
6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 113401019
2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80949949
3-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993160
6-hydrazinyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917620
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133350630

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 113401003) is 6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is COCc1nc(Cl)cc(NC(C)c2nccs2)n1.
What is the InChIKey of 6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is XLPIQKSYWBGOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4OS/c1-7(11-13-3-4-18-11)14-9-5-8(12)15-10(16-9)6-17-2/h3-5,7H,6H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 284.77 g/mol, XLogP of 2.91, 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-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 113401003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).