6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine

C12H13ClN4S — CID 80545517

IUPAC6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NC(C)c2cccnc2)n1
InChIInChI=1S/C12H13ClN4S/c1-8(9-4-3-5-14-7-9)15-11-6-10(13)16-12(17-11)18-2/h3-8H,1-2H3,(H,15,16,17)
InChIKeyPRPNHRCQMFDPGB-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.42
Rot. Bonds4

About 6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine

6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine (PubChem CID 80545517) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
PubChem CID80545517
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NC(C)c2cccnc2)n1
InChIInChI=1S/C12H13ClN4S/c1-8(9-4-3-5-14-7-9)15-11-6-10(13)16-12(17-11)18-2/h3-8H,1-2H3,(H,15,16,17)
InChIKeyPRPNHRCQMFDPGB-UHFFFAOYSA-N
XLogP3.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80953767
6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 112724557
6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 106214382
2-chloro-6-(1-pyridin-3-ylethylamino)pyridine-4-carboxylic acid
CID 43523832
2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968080
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80940280
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine
CID 81036306
6-(1-pyridin-3-ylethylamino)pyridine-2-carbothioamide
CID 64588051
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80545491
2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80960493

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine (CID 80545517) is 6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine is CSc1nc(Cl)cc(NC(C)c2cccnc2)n1.
What is the InChIKey of 6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is PRPNHRCQMFDPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S/c1-8(9-4-3-5-14-7-9)15-11-6-10(13)16-12(17-11)18-2/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 280.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80545517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).