3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol

C16H19N3O — CID 63354599

IUPAC3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
SMILESCCCNc1cc(C2CC2)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C16H19N3O/c1-2-8-17-15-10-14(11-6-7-11)18-16(19-15)12-4-3-5-13(20)9-12/h3-5,9-11,20H,2,6-8H2,1H3,(H,17,18,19)
InChIKeyKTZRWGPBVJOJIA-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.55
Rot. Bonds5

About 3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol

3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol (PubChem CID 63354599) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
PubChem CID63354599
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
SMILESCCCNc1cc(C2CC2)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C16H19N3O/c1-2-8-17-15-10-14(11-6-7-11)18-16(19-15)12-4-3-5-13(20)9-12/h3-5,9-11,20H,2,6-8H2,1H3,(H,17,18,19)
InChIKeyKTZRWGPBVJOJIA-UHFFFAOYSA-N
XLogP3.55
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62202780
6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
CID 63354131
6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 63479516
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486675
6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 63354393
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 63354580
6-cyclopropyl-2-(6-methoxy-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 114938366
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 81273052
6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 63354762
6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 63354644
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol (CID 63354599) is 3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol is CCCNc1cc(C2CC2)nc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol?
The InChIKey is KTZRWGPBVJOJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-8-17-15-10-14(11-6-7-11)18-16(19-15)12-4-3-5-13(20)9-12/h3-5,9-11,20H,2,6-8H2,1H3,(H,17,18,19).
What are the key properties of 3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol?
3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol has a molecular weight of 269.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 63354599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).