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

C15H18N6O4 — CID 3753755

IUPAC2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)cc1
InChIInChI=1S/C15H18N6O4/c1-24-11-4-2-10(3-5-11)17-15-18-13(16)12(21(22)23)14(19-15)20-6-8-25-9-7-20/h2-5H,6-9H2,1H3,(H3,16,17,18,19)
InChIKeyOFXPWSOZWPXKSB-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.56
Rot. Bonds5

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

2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine (PubChem CID 3753755) has the molecular formula C15H18N6O4 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
PubChem CID3753755
Molecular FormulaC15H18N6O4
Molecular Weight346.35 g/mol
Exact Mass346.14
IUPAC Name2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)cc1
InChIInChI=1S/C15H18N6O4/c1-24-11-4-2-10(3-5-11)17-15-18-13(16)12(21(22)23)14(19-15)20-6-8-25-9-7-20/h2-5H,6-9H2,1H3,(H3,16,17,18,19)
InChIKeyOFXPWSOZWPXKSB-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine (CID 3753755) is 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine is COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
The InChIKey is OFXPWSOZWPXKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4/c1-24-11-4-2-10(3-5-11)17-15-18-13(16)12(21(22)23)14(19-15)20-6-8-25-9-7-20/h2-5H,6-9H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-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 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 3753755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).