6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine

C16H20ClN3 — CID 80939396

IUPAC6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C16H20ClN3/c1-4-7-15-19-14(17)10-16(20-15)18-13-9-6-5-8-12(13)11(2)3/h5-6,8-11H,4,7H2,1-3H3,(H,18,19,20)
InChIKeyJZUWETVWDXEJEF-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.95
Rot. Bonds5

About 6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine

6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine (PubChem CID 80939396) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
PubChem CID80939396
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C16H20ClN3/c1-4-7-15-19-14(17)10-16(20-15)18-13-9-6-5-8-12(13)11(2)3/h5-6,8-11H,4,7H2,1-3H3,(H,18,19,20)
InChIKeyJZUWETVWDXEJEF-UHFFFAOYSA-N
XLogP4.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80949167
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine
CID 80939768
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
2-N-ethyl-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80759675
6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80940416
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 80939572
6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
CID 80939171
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine (CID 80939396) is 6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(Nc2ccccc2C(C)C)n1.
What is the InChIKey of 6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine?
The InChIKey is JZUWETVWDXEJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-7-15-19-14(17)10-16(20-15)18-13-9-6-5-8-12(13)11(2)3/h5-6,8-11H,4,7H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine?
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80939396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).