4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine

C13H23N5 — CID 80765080

IUPAC4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC2CCCCC2)nc(N)n1
InChIInChI=1S/C13H23N5/c1-2-8-15-11-9-12(18-13(14)17-11)16-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H4,14,15,16,17,18)
InChIKeyNOELKTMOUUUKSB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.63
Rot. Bonds5

About 4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine

4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80765080) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80765080
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC2CCCCC2)nc(N)n1
InChIInChI=1S/C13H23N5/c1-2-8-15-11-9-12(18-13(14)17-11)16-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H4,14,15,16,17,18)
InChIKeyNOELKTMOUUUKSB-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80782611
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856635
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
CID 80786169
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
CID 80932783
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80813186
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80784794
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine (CID 80765080) is 4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NC2CCCCC2)nc(N)n1.
What is the InChIKey of 4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is NOELKTMOUUUKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-8-15-11-9-12(18-13(14)17-11)16-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H4,14,15,16,17,18).
What are the key properties of 4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine?
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 249.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80765080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).