4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine

C9H14ClN3S — CID 103704699

IUPAC4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
SMILESCC(C)CCSc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H14ClN3S/c1-6(2)3-4-14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyBAPPFXBUKCWTNO-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine

4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine (PubChem CID 103704699) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
PubChem CID103704699
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
SMILESCC(C)CCSc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H14ClN3S/c1-6(2)3-4-14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyBAPPFXBUKCWTNO-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 103704895
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
4-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-1-hydroxybutan-2-one
CID 163718705
4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
CID 80740148
2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid
CID 94830344
2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765899
3,5-dichloro-6-(3-methylbutylsulfanyl)pyridin-2-amine
CID 107765860
4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
CID 80739777
[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
CID 107752126
6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
CID 80893169
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine
CID 103288736

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine (CID 103704699) is 4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine is CC(C)CCSc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine?
The InChIKey is BAPPFXBUKCWTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-6(2)3-4-14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine?
4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine has a molecular weight of 231.75 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 103704699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).