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

C16H20ClN3 — CID 80949167

IUPAC6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C16H20ClN3/c1-10(2)12-7-5-6-8-13(12)18-15-9-14(17)19-16(20-15)11(3)4/h5-11H,1-4H3,(H,18,19,20)
InChIKeyDFXWKZWINKIBCW-UHFFFAOYSA-N
MW289.81 g/mol
LogP5.12
Rot. Bonds4

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

6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 80949167) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID80949167
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C16H20ClN3/c1-10(2)12-7-5-6-8-13(12)18-15-9-14(17)19-16(20-15)11(3)4/h5-11H,1-4H3,(H,18,19,20)
InChIKeyDFXWKZWINKIBCW-UHFFFAOYSA-N
XLogP5.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.81
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396
6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80947983
6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80948781
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953244
6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953300
6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951424
2-cyclopropyl-6-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80968890
2-N-ethyl-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80759675
6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717016
N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 104780296
6-hydrazinyl-N-(2-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107647320
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine (CID 80949167) is 6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine is CC(C)c1nc(Cl)cc(Nc2ccccc2C(C)C)n1.
What is the InChIKey of 6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is DFXWKZWINKIBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-10(2)12-7-5-6-8-13(12)18-15-9-14(17)19-16(20-15)11(3)4/h5-11H,1-4H3,(H,18,19,20).
What are the key properties of 6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80949167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).