6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine

C16H28N4O — CID 80943022

IUPAC6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(N(C)CC2CCCOC2)n1
InChIInChI=1S/C16H28N4O/c1-4-7-14-18-15(17-5-2)10-16(19-14)20(3)11-13-8-6-9-21-12-13/h10,13H,4-9,11-12H2,1-3H3,(H,17,18,19)
InChIKeyWNUMZYJRRPNYKN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds7

About 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80943022) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80943022
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(N(C)CC2CCCOC2)n1
InChIInChI=1S/C16H28N4O/c1-4-7-14-18-15(17-5-2)10-16(19-14)20(3)11-13-8-6-9-21-12-13/h10,13H,4-9,11-12H2,1-3H3,(H,17,18,19)
InChIKeyWNUMZYJRRPNYKN-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-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

3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80943445
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80825415
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
N-ethyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950581
N-cyclopropyl-2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]acetamide
CID 80941047
6-hydrazinyl-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 80909919
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967633
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955245
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine (CID 80943022) is 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(N(C)CC2CCCOC2)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is WNUMZYJRRPNYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-14-18-15(17-5-2)10-16(19-14)20(3)11-13-8-6-9-21-12-13/h10,13H,4-9,11-12H2,1-3H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80943022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).