4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine

C13H23N5 — CID 80783942

IUPAC4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCC2CCCCC2)nc(N)n1
InChIInChI=1S/C13H23N5/c1-2-15-11-8-12(18-13(14)17-11)16-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H4,14,15,16,17,18)
InChIKeyMRKJHQZJJIVDLM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.48
Rot. Bonds5

About 4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine

4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80783942) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80783942
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCC2CCCCC2)nc(N)n1
InChIInChI=1S/C13H23N5/c1-2-15-11-8-12(18-13(14)17-11)16-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H4,14,15,16,17,18)
InChIKeyMRKJHQZJJIVDLM-UHFFFAOYSA-N
XLogP2.48
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564036
6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
CID 80870965
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933363
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
CID 90909451

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine (CID 80783942) is 4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NCC2CCCCC2)nc(N)n1.
What is the InChIKey of 4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is MRKJHQZJJIVDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-15-11-8-12(18-13(14)17-11)16-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H4,14,15,16,17,18).
What are the key properties of 4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 249.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80783942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).