N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine

C18H23N3 — CID 64751560

IUPACN-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine
SMILESCC1CC(C)CC(Nc2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C18H23N3/c1-13-8-14(2)10-16(9-13)21-17-11-19-18(20-12-17)15-6-4-3-5-7-15/h3-7,11-14,16,21H,8-10H2,1-2H3
InChIKeyUEYQODFABIAVQY-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.38
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine

N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine (PubChem CID 64751560) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine
PubChem CID64751560
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine
SMILESCC1CC(C)CC(Nc2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C18H23N3/c1-13-8-14(2)10-16(9-13)21-17-11-19-18(20-12-17)15-6-4-3-5-7-15/h3-7,11-14,16,21H,8-10H2,1-2H3
InChIKeyUEYQODFABIAVQY-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine (CID 64751560) is N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine is CC1CC(C)CC(Nc2cnc(-c3ccccc3)nc2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine?
The InChIKey is UEYQODFABIAVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-8-14(2)10-16(9-13)21-17-11-19-18(20-12-17)15-6-4-3-5-7-15/h3-7,11-14,16,21H,8-10H2,1-2H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine?
N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine has a molecular weight of 281.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine is sourced from PubChem (CID 64751560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).