N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

C16H19N3O — CID 96667428

IUPACN-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-c2cc(NC3CC3)ncn2)cc1
InChIInChI=1S/C16H19N3O/c1-11(2)20-14-7-3-12(4-8-14)15-9-16(18-10-17-15)19-13-5-6-13/h3-4,7-11,13H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyALJUHTDMWZELIX-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.51
Rot. Bonds5

About N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 96667428) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID96667428
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-c2cc(NC3CC3)ncn2)cc1
InChIInChI=1S/C16H19N3O/c1-11(2)20-14-7-3-12(4-8-14)15-9-16(18-10-17-15)19-13-5-6-13/h3-4,7-11,13H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyALJUHTDMWZELIX-UHFFFAOYSA-N
XLogP3.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 82483168
4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
CID 24902044
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
6-(4-cyclopropyloxyphenyl)-N-methylpyrimidin-4-amine
CID 114520318
N-cyclopropyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 141185839
[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112933194
6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine
CID 166382927
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112868724
N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009834
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 96667428) is N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is CC(C)Oc1ccc(-c2cc(NC3CC3)ncn2)cc1.
What is the InChIKey of N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is ALJUHTDMWZELIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)20-14-7-3-12(4-8-14)15-9-16(18-10-17-15)19-13-5-6-13/h3-4,7-11,13H,5-6H2,1-2H3,(H,17,18,19).
What are the key properties of N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 96667428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).