N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine

C16H21N3 — CID 174926050

IUPACN-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine
SMILESCCN1C=CC(NC(c2ccccc2)C2CC2)=NC1
InChIInChI=1S/C16H21N3/c1-2-19-11-10-15(17-12-19)18-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,10-11,14,16H,2,8-9,12H2,1H3,(H,17,18)
InChIKeyHYEJYZQZDFTUKI-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.93
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine

N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine (PubChem CID 174926050) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine
PubChem CID174926050
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine
SMILESCCN1C=CC(NC(c2ccccc2)C2CC2)=NC1
InChIInChI=1S/C16H21N3/c1-2-19-11-10-15(17-12-19)18-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,10-11,14,16H,2,8-9,12H2,1H3,(H,17,18)
InChIKeyHYEJYZQZDFTUKI-UHFFFAOYSA-N
XLogP2.93
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine
CID 150716162
1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine
CID 174925497
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-ethylsulfanylaniline
CID 63453265
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline
CID 62814505
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
CID 63842237
[cyclopropyl(phenyl)methyl]hydrazine
CID 53403097
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline
CID 43094793

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine (CID 174926050) is N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine is CCN1C=CC(NC(c2ccccc2)C2CC2)=NC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine?
The InChIKey is HYEJYZQZDFTUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-19-11-10-15(17-12-19)18-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,10-11,14,16H,2,8-9,12H2,1H3,(H,17,18).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine?
N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine is sourced from PubChem (CID 174926050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).