4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine

C11H17ClN4S — CID 133395200

IUPAC4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine
SMILESCSC1CCCCN(c2cc(Cl)nc(N)n2)C1
InChIInChI=1S/C11H17ClN4S/c1-17-8-4-2-3-5-16(7-8)10-6-9(12)14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyAFWPUXJJKZAVSW-UHFFFAOYSA-N
MW272.81 g/mol
LogP2.43
Rot. Bonds2

About 4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine

4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine (PubChem CID 133395200) has the molecular formula C11H17ClN4S and a molecular weight of 272.81 g/mol. Its IUPAC name is 4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine
PubChem CID133395200
Molecular FormulaC11H17ClN4S
Molecular Weight272.81 g/mol
Exact Mass272.09
IUPAC Name4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine
SMILESCSC1CCCCN(c2cc(Cl)nc(N)n2)C1
InChIInChI=1S/C11H17ClN4S/c1-17-8-4-2-3-5-16(7-8)10-6-9(12)14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyAFWPUXJJKZAVSW-UHFFFAOYSA-N
XLogP2.43
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.81
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N~4~,N~4~-dipropyl-2,4-pyrimidinediamine
CID 1484284
1,1'-(6-Chloropyrimidine-2,4-diyl)diazepane
CID 703703
6-chloro-N-(6-methylsulfanylhexyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 105902574
6-chloro-N-(5-methylsulfanylpentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 105920188
4-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1,4-thiazepane
CID 106767304
4-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-7,7-dimethyl-1,4-thiazepane
CID 107457709
6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 114238010
6-Chloro-n4-(tetrahydro-2h-thiopyran-3-yl)pyrimidine-2,4-diamine
CID 72105915
2-Amino-4-hexylamino-6-chloropyrimidine
CID 11183788
6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride
CID 21433271
4-Chloro-6-(hexahydro-1H-azepin-1-yl)-2-pyrimidinamine
CID 31537603
6-chloro-N4-cyclohexyl-N4-methylpyrimidine-2,4-diamine
CID 46633282

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine (CID 133395200) is 4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine is CSC1CCCCN(c2cc(Cl)nc(N)n2)C1.
What is the InChIKey of 4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine?
The InChIKey is AFWPUXJJKZAVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4S/c1-17-8-4-2-3-5-16(7-8)10-6-9(12)14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15).
What are the key properties of 4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine?
4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine has a molecular weight of 272.81 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 133395200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).