4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine

C15H18N4 — CID 112854775

IUPAC4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(NC2CC2)ncn1
InChIInChI=1S/C15H18N4/c1-2-11-5-3-4-6-13(11)19-15-9-14(16-10-17-15)18-12-7-8-12/h3-6,9-10,12H,2,7-8H2,1H3,(H2,16,17,18,19)
InChIKeyDXMVVOJQMSQIGJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.36
Rot. Bonds5

About 4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine (PubChem CID 112854775) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
PubChem CID112854775
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(NC2CC2)ncn1
InChIInChI=1S/C15H18N4/c1-2-11-5-3-4-6-13(11)19-15-9-14(16-10-17-15)18-12-7-8-12/h3-6,9-10,12H,2,7-8H2,1H3,(H2,16,17,18,19)
InChIKeyDXMVVOJQMSQIGJ-UHFFFAOYSA-N
XLogP3.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868692
4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879514
ethyl 2-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]benzoate
CID 112854860
6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine
CID 61277140
4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865366
4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544200
4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856738
4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112854769
4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112854696
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
methyl 3-[[6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865380
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine (CID 112854775) is 4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine is CCc1ccccc1Nc1cc(NC2CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is DXMVVOJQMSQIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-11-5-3-4-6-13(11)19-15-9-14(16-10-17-15)18-12-7-8-12/h3-6,9-10,12H,2,7-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112854775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).