N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine

C18H23N3 — CID 43786661

IUPACN-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine
SMILESCC(Nc1cnc(-c2ccccc2)nc1)C1CCCCC1
InChIInChI=1S/C18H23N3/c1-14(15-8-4-2-5-9-15)21-17-12-19-18(20-13-17)16-10-6-3-7-11-16/h3,6-7,10-15,21H,2,4-5,8-9H2,1H3
InChIKeyOBRWVELDLMJVBG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.52
Rot. Bonds4

About N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine

N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine (PubChem CID 43786661) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine
PubChem CID43786661
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine
SMILESCC(Nc1cnc(-c2ccccc2)nc1)C1CCCCC1
InChIInChI=1S/C18H23N3/c1-14(15-8-4-2-5-9-15)21-17-12-19-18(20-13-17)16-10-6-3-7-11-16/h3,6-7,10-15,21H,2,4-5,8-9H2,1H3
InChIKeyOBRWVELDLMJVBG-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopentylethyl)-2-phenylpyrimidin-5-amine
CID 62633534
N-(1-cyclobutylethyl)aniline
CID 58933203
2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine
CID 43723286
N-(1-cyclohexylethyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 43782133
1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 75381215
N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine
CID 15295313
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
2-[4-(1-cyclohexylethylamino)phenyl]ethanol
CID 61239115
methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate
CID 66172915
6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine
CID 103529167
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine
CID 115922171

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine?
The IUPAC name of N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine (CID 43786661) is N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine is CC(Nc1cnc(-c2ccccc2)nc1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine?
The InChIKey is OBRWVELDLMJVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14(15-8-4-2-5-9-15)21-17-12-19-18(20-13-17)16-10-6-3-7-11-16/h3,6-7,10-15,21H,2,4-5,8-9H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine?
N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine has a molecular weight of 281.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine is sourced from PubChem (CID 43786661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).