2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

C13H14ClN3 — CID 60727037

IUPAC2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2ccnc(Cl)n2)cc1
InChIInChI=1S/C13H14ClN3/c1-9(2)10-3-5-11(6-4-10)16-12-7-8-15-13(14)17-12/h3-9H,1-2H3,(H,15,16,17)
InChIKeyMPTBMXFTPYAFMB-UHFFFAOYSA-N
MW247.73 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 60727037) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID60727037
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2ccnc(Cl)n2)cc1
InChIInChI=1S/C13H14ClN3/c1-9(2)10-3-5-11(6-4-10)16-12-7-8-15-13(14)17-12/h3-9H,1-2H3,(H,15,16,17)
InChIKeyMPTBMXFTPYAFMB-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 60726103
2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 62336213
2-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 62342670
4-[(2-chloropyrimidin-4-yl)amino]benzoic acid
CID 51063735
1-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]propan-2-one
CID 159435212
2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 59828373
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine
CID 63962569
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 46859551
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112894129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 60727037) is 2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is CC(C)c1ccc(Nc2ccnc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is MPTBMXFTPYAFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9(2)10-3-5-11(6-4-10)16-12-7-8-15-13(14)17-12/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 60727037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).