6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

C15H18N4 — CID 112854699

IUPAC6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1cc(NC2CC2)ncn1)c1ccccc1
InChIInChI=1S/C15H18N4/c1-11(12-5-3-2-4-6-12)18-14-9-15(17-10-16-14)19-13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H2,16,17,18,19)
InChIKeyIUDVXLIMPGINDM-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.22
Rot. Bonds5

About 6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112854699) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112854699
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1cc(NC2CC2)ncn1)c1ccccc1
InChIInChI=1S/C15H18N4/c1-11(12-5-3-2-4-6-12)18-14-9-15(17-10-16-14)19-13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H2,16,17,18,19)
InChIKeyIUDVXLIMPGINDM-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
6-N-(2,6-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112859346
6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857200
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265760
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300
1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109345995
6-N-[3-(dimethylamino)propyl]-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857728
N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112859381

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (CID 112854699) is 6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is CC(Nc1cc(NC2CC2)ncn1)c1ccccc1.
What is the InChIKey of 6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is IUDVXLIMPGINDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(12-5-3-2-4-6-12)18-14-9-15(17-10-16-14)19-13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112854699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).