6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine

C16H19N3 — CID 63354393

IUPAC6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H19N3/c1-3-17-15-10-14(12-7-8-12)18-16(19-15)13-6-4-5-11(2)9-13/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,17,18,19)
InChIKeyLNEYDPKIRATNPT-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.76
Rot. Bonds4

About 6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine

6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 63354393) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine
PubChem CID63354393
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H19N3/c1-3-17-15-10-14(12-7-8-12)18-16(19-15)13-6-4-5-11(2)9-13/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,17,18,19)
InChIKeyLNEYDPKIRATNPT-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine
CID 63354598
3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 63354599
6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 63479516
6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
CID 63354572
2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 114488701
6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 63354262
6-cyclopropyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557347
6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 63481714
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
6-cyclopropyl-N-ethyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 63354437
6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
CID 63354131
2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 102843899

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine (CID 63354393) is 6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine is CCNc1cc(C2CC2)nc(-c2cccc(C)c2)n1.
What is the InChIKey of 6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine?
The InChIKey is LNEYDPKIRATNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-17-15-10-14(12-7-8-12)18-16(19-15)13-6-4-5-11(2)9-13/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine?
6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 63354393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).