4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine

C15H18N6O4 — CID 3286273

IUPAC4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])cc1
InChIInChI=1S/C15H18N6O4/c1-24-11-4-2-10(3-5-11)17-14-12(21(22)23)13(16)18-15(19-14)20-6-8-25-9-7-20/h2-5H,6-9H2,1H3,(H3,16,17,18,19)
InChIKeyDLOQBOQBMCVDBE-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.56
Rot. Bonds5

About 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine

4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine (PubChem CID 3286273) has the molecular formula C15H18N6O4 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
PubChem CID3286273
Molecular FormulaC15H18N6O4
Molecular Weight346.35 g/mol
Exact Mass346.14
IUPAC Name4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])cc1
InChIInChI=1S/C15H18N6O4/c1-24-11-4-2-10(3-5-11)17-14-12(21(22)23)13(16)18-15(19-14)20-6-8-25-9-7-20/h2-5H,6-9H2,1H3,(H3,16,17,18,19)
InChIKeyDLOQBOQBMCVDBE-UHFFFAOYSA-N
XLogP1.56
TPSA128.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-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

4-N-(4-fluorophenyl)-5-nitro-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
CID 3799139
2-(azepan-1-yl)-4-N-(4-chlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 3784004
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 7463225
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 25352579
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
CID 129216917
1-[4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 42065578
4-N-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 3311464
4-N-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 3618804
6-chloro-2-N-(4-methoxyphenyl)-3-nitropyridine-2,4-diamine
CID 2846942

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine (CID 3286273) is 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine is COc1ccc(Nc2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine?
The InChIKey is DLOQBOQBMCVDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4/c1-24-11-4-2-10(3-5-11)17-14-12(21(22)23)13(16)18-15(19-14)20-6-8-25-9-7-20/h2-5H,6-9H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine?
4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine has a molecular weight of 346.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 3286273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).