6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine

C16H23N5 — CID 66164544

IUPAC6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2cncn2C(C)C)n1
InChIInChI=1S/C16H23N5/c1-4-7-18-15-8-13(12-5-6-12)19-16(20-15)14-9-17-10-21(14)11(2)3/h8-12H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyXOOPYQPGXAFOBK-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.62
Rot. Bonds6

About 6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine

6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine (PubChem CID 66164544) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
PubChem CID66164544
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2cncn2C(C)C)n1
InChIInChI=1S/C16H23N5/c1-4-7-18-15-8-13(12-5-6-12)19-16(20-15)14-9-17-10-21(14)11(2)3/h8-12H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyXOOPYQPGXAFOBK-UHFFFAOYSA-N
XLogP3.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
CID 66164346
6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 63479516
6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 63354762
5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
CID 66296296
3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 63354599
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 63354580
6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79784106
6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 63354181
6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 63354644
6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
CID 63354131
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
6-cyclopropyl-2-(6-methoxy-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 114938366

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine (CID 66164544) is 6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(C2CC2)nc(-c2cncn2C(C)C)n1.
What is the InChIKey of 6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine?
The InChIKey is XOOPYQPGXAFOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-7-18-15-8-13(12-5-6-12)19-16(20-15)14-9-17-10-21(14)11(2)3/h8-12H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of 6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine?
6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine has a molecular weight of 285.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66164544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).