4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine

C12H22N4O — CID 113450992

IUPAC4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCCOC(C)C
InChIInChI=1S/C12H22N4O/c1-4-5-10-11(13)15-8-16-12(10)14-6-7-17-9(2)3/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyZFQZRQUMZXTHHV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.85
Rot. Bonds7

About 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine

4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 113450992) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine
PubChem CID113450992
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCCOC(C)C
InChIInChI=1S/C12H22N4O/c1-4-5-10-11(13)15-8-16-12(10)14-6-7-17-9(2)3/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyZFQZRQUMZXTHHV-UHFFFAOYSA-N
XLogP1.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine 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

4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106412113
5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80846566
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80818981
6-hydrazinyl-5-methoxy-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767453
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine (CID 113450992) is 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1NCCOC(C)C.
What is the InChIKey of 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is ZFQZRQUMZXTHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-10-11(13)15-8-16-12(10)14-6-7-17-9(2)3/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine?
4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 113450992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).