4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine

C16H30N4O — CID 80785196

IUPAC4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(CCOC)CC(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-7-8-17-15-13(4)16(19-14(5)18-15)20(9-10-21-6)11-12(2)3/h12H,7-11H2,1-6H3,(H,17,18,19)
InChIKeyBKVKHTPPCDQUDU-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.02
Rot. Bonds9

About 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80785196) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80785196
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(CCOC)CC(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-7-8-17-15-13(4)16(19-14(5)18-15)20(9-10-21-6)11-12(2)3/h12H,7-11H2,1-6H3,(H,17,18,19)
InChIKeyBKVKHTPPCDQUDU-UHFFFAOYSA-N
XLogP3.02
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-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-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile
CID 80814264
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80788946
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80788923
2-ethyl-4-N-(2-methoxyethyl)-6-N,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987716
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774157
4-N-ethyl-4-N-(2-methoxyethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80808572
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
4-N-ethyl-6-N,2,5-trimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774156
4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80815574
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine (CID 80785196) is 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(N(CCOC)CC(C)C)c1C.
What is the InChIKey of 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BKVKHTPPCDQUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-8-17-15-13(4)16(19-14(5)18-15)20(9-10-21-6)11-12(2)3/h12H,7-11H2,1-6H3,(H,17,18,19).
What are the key properties of 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80785196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).