6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine

C15H16ClN3S — CID 80974347

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1cccc(Nc2nc(C3CC3)nc(Cl)c2C)c1
InChIInChI=1S/C15H16ClN3S/c1-9-13(16)18-15(10-6-7-10)19-14(9)17-11-4-3-5-12(8-11)20-2/h3-5,8,10H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyDVKRZNWLEPBSPD-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.78
Rot. Bonds4

About 6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine (PubChem CID 80974347) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
PubChem CID80974347
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1cccc(Nc2nc(C3CC3)nc(Cl)c2C)c1
InChIInChI=1S/C15H16ClN3S/c1-9-13(16)18-15(10-6-7-10)19-14(9)17-11-4-3-5-12(8-11)20-2/h3-5,8,10H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyDVKRZNWLEPBSPD-UHFFFAOYSA-N
XLogP4.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 80973859
2-tert-butyl-6-chloro-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974151
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80970384
6-chloro-2-cyclopropyl-N-(4-ethylphenyl)-5-methylpyrimidin-4-amine
CID 80970768
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919
2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80977204
6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 80970382
6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 80769102
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 81007517

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine (CID 80974347) is 6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine is CSc1cccc(Nc2nc(C3CC3)nc(Cl)c2C)c1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
The InChIKey is DVKRZNWLEPBSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-9-13(16)18-15(10-6-7-10)19-14(9)17-11-4-3-5-12(8-11)20-2/h3-5,8,10H,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine has a molecular weight of 305.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80974347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).