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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Related Compounds

1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine
CID 174926041
4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol
CID 174940329
N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine
CID 174926050
N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine
CID 174941159
N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine
CID 150716162
1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrimidin-4-amine
CID 174925522
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 142671286
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
5-iodo-N-[(1R)-1-phenylethyl]-4,5-dihydropyrimidin-2-amine
CID 154981821

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).