4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine

C9H14ClN3S — CID 103704895

IUPAC4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
SMILESCC(C)C(C)Sc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H14ClN3S/c1-5(2)6(3)14-8-4-7(10)12-9(11)13-8/h4-6H,1-3H3,(H2,11,12,13)
InChIKeyOVDJNEPHKHEWKY-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.85
Rot. Bonds3

About 4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine

4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 103704895) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID103704895
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
SMILESCC(C)C(C)Sc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H14ClN3S/c1-5(2)6(3)14-8-4-7(10)12-9(11)13-8/h4-6H,1-3H3,(H2,11,12,13)
InChIKeyOVDJNEPHKHEWKY-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772733
3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80735091
2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine
CID 107765529
6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107765534
6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107765563
4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine
CID 47159001
5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754025
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 47158888
6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine
CID 107765461
(2-amino-6-chloropyrimidin-4-yl) N,N-diethylcarbamodithioate
CID 47159130
2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid
CID 94830344

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine (CID 103704895) is 4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine is CC(C)C(C)Sc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is OVDJNEPHKHEWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-5(2)6(3)14-8-4-7(10)12-9(11)13-8/h4-6H,1-3H3,(H2,11,12,13).
What are the key properties of 4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine?
4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 231.75 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 103704895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).