N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine

C18H23N3 — CID 142391921

IUPACN-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine
SMILESCN(Cc1cccc(-c2ccncn2)c1)C1CCCCC1
InChIInChI=1S/C18H23N3/c1-21(17-8-3-2-4-9-17)13-15-6-5-7-16(12-15)18-10-11-19-14-20-18/h5-7,10-12,14,17H,2-4,8-9,13H2,1H3
InChIKeyGUWKCCLPHCAGKE-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.91
Rot. Bonds4

About N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine

N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine (PubChem CID 142391921) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine
PubChem CID142391921
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine
SMILESCN(Cc1cccc(-c2ccncn2)c1)C1CCCCC1
InChIInChI=1S/C18H23N3/c1-21(17-8-3-2-4-9-17)13-15-6-5-7-16(12-15)18-10-11-19-14-20-18/h5-7,10-12,14,17H,2-4,8-9,13H2,1H3
InChIKeyGUWKCCLPHCAGKE-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine (CID 142391921) is N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine is CN(Cc1cccc(-c2ccncn2)c1)C1CCCCC1.
What is the InChIKey of N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine?
The InChIKey is GUWKCCLPHCAGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-21(17-8-3-2-4-9-17)13-15-6-5-7-16(12-15)18-10-11-19-14-20-18/h5-7,10-12,14,17H,2-4,8-9,13H2,1H3.
What are the key properties of N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine?
N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine has a molecular weight of 281.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyrimidin-4-ylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 142391921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).