4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine

C17H24N6O — CID 19138606

IUPAC4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCOCCNc1ncnc(N2CCN(c3ccccc3)CC2)c1N
InChIInChI=1S/C17H24N6O/c1-24-12-7-19-16-15(18)17(21-13-20-16)23-10-8-22(9-11-23)14-5-3-2-4-6-14/h2-6,13H,7-12,18H2,1H3,(H,19,20,21)
InChIKeyIKKAWYSQTBNYDA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.44
Rot. Bonds6

About 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19138606) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID19138606
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCOCCNc1ncnc(N2CCN(c3ccccc3)CC2)c1N
InChIInChI=1S/C17H24N6O/c1-24-12-7-19-16-15(18)17(21-13-20-16)23-10-8-22(9-11-23)14-5-3-2-4-6-14/h2-6,13H,7-12,18H2,1H3,(H,19,20,21)
InChIKeyIKKAWYSQTBNYDA-UHFFFAOYSA-N
XLogP1.44
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)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

6-(4-benzhydrylpiperazin-1-yl)-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 19139653
4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138195
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138548
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19138906
4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19138923
4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138559
4-N-benzhydryl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19138956
6-(4-benzhydrylpiperazin-1-yl)-4-N-butylpyrimidine-4,5-diamine
CID 19134793
4-N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19136143
4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135072
6-hydrazinyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 19150351
4-[[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 19138679

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 19138606) is 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine is COCCNc1ncnc(N2CCN(c3ccccc3)CC2)c1N.
What is the InChIKey of 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is IKKAWYSQTBNYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-24-12-7-19-16-15(18)17(21-13-20-16)23-10-8-22(9-11-23)14-5-3-2-4-6-14/h2-6,13H,7-12,18H2,1H3,(H,19,20,21).
What are the key properties of 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 328.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).