5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine

C8H12ClN3S — CID 115756039

IUPAC5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
SMILESCSC(C)CNc1ncc(Cl)cn1
InChIInChI=1S/C8H12ClN3S/c1-6(13-2)3-10-8-11-4-7(9)5-12-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKeyZFZLBIZXZYATKJ-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.29
Rot. Bonds4

About 5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine

5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine (PubChem CID 115756039) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
PubChem CID115756039
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
SMILESCSC(C)CNc1ncc(Cl)cn1
InChIInChI=1S/C8H12ClN3S/c1-6(13-2)3-10-8-11-4-7(9)5-12-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKeyZFZLBIZXZYATKJ-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine
CID 79556217
5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine
CID 79557408
3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 114836097
(2S)-1-[(5-chloropyrimidin-2-yl)amino]butan-2-ol
CID 130680092
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
CID 112696400
4,6-dimethyl-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115774265
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875
5-chloro-N-(7-methyloctyl)pyrimidin-2-amine
CID 107816307
5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
CID 106580982
6-chloro-2-methyl-N-(2-methylsulfanylpropyl)pyrimidin-4-amine
CID 115756052
(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 125130843
2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 122145460

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine (CID 115756039) is 5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine is CSC(C)CNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine?
The InChIKey is ZFZLBIZXZYATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c1-6(13-2)3-10-8-11-4-7(9)5-12-8/h4-6H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine?
5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine has a molecular weight of 217.72 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 115756039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).