4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine

C13H23N5O — CID 80811963

IUPAC4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCCC2CCCO2)nc(N)n1
InChIInChI=1S/C13H23N5O/c1-2-6-15-11-9-12(18-13(14)17-11)16-7-5-10-4-3-8-19-10/h9-10H,2-8H2,1H3,(H4,14,15,16,17,18)
InChIKeyAKFSTSNCHQXVOK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds7

About 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine

4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80811963) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80811963
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCCC2CCCO2)nc(N)n1
InChIInChI=1S/C13H23N5O/c1-2-6-15-11-9-12(18-13(14)17-11)16-7-5-10-4-3-8-19-10/h9-10H,2-8H2,1H3,(H4,14,15,16,17,18)
InChIKeyAKFSTSNCHQXVOK-UHFFFAOYSA-N
XLogP1.86
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydrazinyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80904049
2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80962139
6-chloro-2-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80936355
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79827367
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 114516943
2-N-[2-(oxolan-2-yl)ethyl]pyrazine-2,5-diamine
CID 80652214
6-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 61241083
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
6-methoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817391
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine (CID 80811963) is 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NCCC2CCCO2)nc(N)n1.
What is the InChIKey of 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is AKFSTSNCHQXVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-6-15-11-9-12(18-13(14)17-11)16-7-5-10-4-3-8-19-10/h9-10H,2-8H2,1H3,(H4,14,15,16,17,18).
What are the key properties of 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 265.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80811963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).