4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine

C15H29N5O — CID 82458253

IUPAC4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(CC(C)C)nc(NCCCN(C)C)c1N
InChIInChI=1S/C15H29N5O/c1-6-21-15-13(16)14(17-8-7-9-20(4)5)18-12(19-15)10-11(2)3/h11H,6-10,16H2,1-5H3,(H,17,18,19)
InChIKeyYTVZEIREQLXUGV-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.02
Rot. Bonds9

About 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine

4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82458253) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82458253
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(CC(C)C)nc(NCCCN(C)C)c1N
InChIInChI=1S/C15H29N5O/c1-6-21-15-13(16)14(17-8-7-9-20(4)5)18-12(19-15)10-11(2)3/h11H,6-10,16H2,1-5H3,(H,17,18,19)
InChIKeyYTVZEIREQLXUGV-UHFFFAOYSA-N
XLogP2.02
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-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-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458254
6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458298
4-N-[2-(dimethylamino)ethyl]-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458314
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458232
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82458261
6-butoxy-4-N,2-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458302
6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458334
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456040
6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine
CID 82459184
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82458253) is 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine is CCOc1nc(CC(C)C)nc(NCCCN(C)C)c1N.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is YTVZEIREQLXUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-6-21-15-13(16)14(17-8-7-9-20(4)5)18-12(19-15)10-11(2)3/h11H,6-10,16H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 295.43 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).