1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine

C15H19N3 — CID 174925497

IUPAC1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine
SMILESCC(NC1=NCN(C2CC2)C=C1)c1ccccc1
InChIInChI=1S/C15H19N3/c1-12(13-5-3-2-4-6-13)17-15-9-10-18(11-16-15)14-7-8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,16,17)
InChIKeyCIWWUITXFMSBIS-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.68
Rot. Bonds3

About 1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine

1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine (PubChem CID 174925497) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine
PubChem CID174925497
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine
SMILESCC(NC1=NCN(C2CC2)C=C1)c1ccccc1
InChIInChI=1S/C15H19N3/c1-12(13-5-3-2-4-6-13)17-15-9-10-18(11-16-15)14-7-8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,16,17)
InChIKeyCIWWUITXFMSBIS-UHFFFAOYSA-N
XLogP2.68
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine (CID 174925497) is 1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine is CC(NC1=NCN(C2CC2)C=C1)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine?
The InChIKey is CIWWUITXFMSBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12(13-5-3-2-4-6-13)17-15-9-10-18(11-16-15)14-7-8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine?
1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine is sourced from PubChem (CID 174925497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).