6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine

C17H23N5 — CID 19135747

IUPAC6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccccc2)ncnc1NC1CCCCC1
InChIInChI=1S/C17H23N5/c18-15-16(19-11-13-7-3-1-4-8-13)20-12-21-17(15)22-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11,18H2,(H2,19,20,21,22)
InChIKeyXIFFZEHZWOWACV-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.42
Rot. Bonds5

About 6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine

6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine (PubChem CID 19135747) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
PubChem CID19135747
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccccc2)ncnc1NC1CCCCC1
InChIInChI=1S/C17H23N5/c18-15-16(19-11-13-7-3-1-4-8-13)20-12-21-17(15)22-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11,18H2,(H2,19,20,21,22)
InChIKeyXIFFZEHZWOWACV-UHFFFAOYSA-N
XLogP3.42
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138132
6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine
CID 10546397
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine
CID 19152582
4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19136176
1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine
CID 154205278
6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine
CID 19139366
N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152339
4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135849
4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22540380
4-N-benzyl-6-methylsulfanylpyrimidine-4,5-diamine
CID 130154555

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine (CID 19135747) is 6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine is Nc1c(NCc2ccccc2)ncnc1NC1CCCCC1.
What is the InChIKey of 6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine?
The InChIKey is XIFFZEHZWOWACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c18-15-16(19-11-13-7-3-1-4-8-13)20-12-21-17(15)22-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11,18H2,(H2,19,20,21,22).
What are the key properties of 6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine?
6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine has a molecular weight of 297.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).