4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine

C19H24N6O3 — CID 58786802

IUPAC4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine
SMILESO=[N+]([O-])c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCC1
InChIInChI=1S/C19H24N6O3/c26-25(27)17-13-20-19(23-18(17)21-14-3-1-2-4-14)22-15-5-7-16(8-6-15)24-9-11-28-12-10-24/h5-8,13-14H,1-4,9-12H2,(H2,20,21,22,23)
InChIKeyMWJVVNDOEDPGTB-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.32
Rot. Bonds6

About 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine

4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine (PubChem CID 58786802) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine
PubChem CID58786802
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine
SMILESO=[N+]([O-])c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCC1
InChIInChI=1S/C19H24N6O3/c26-25(27)17-13-20-19(23-18(17)21-14-3-1-2-4-14)22-15-5-7-16(8-6-15)24-9-11-28-12-10-24/h5-8,13-14H,1-4,9-12H2,(H2,20,21,22,23)
InChIKeyMWJVVNDOEDPGTB-UHFFFAOYSA-N
XLogP3.32
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine (CID 58786802) is 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine is O=[N+]([O-])c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine?
The InChIKey is MWJVVNDOEDPGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c26-25(27)17-13-20-19(23-18(17)21-14-3-1-2-4-14)22-15-5-7-16(8-6-15)24-9-11-28-12-10-24/h5-8,13-14H,1-4,9-12H2,(H2,20,21,22,23).
What are the key properties of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine?
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine has a molecular weight of 384.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 58786802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).