2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine

C15H18N6O3 — CID 3727069

IUPAC2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1
InChIInChI=1S/C15H18N6O3/c1-19(11-5-3-2-4-6-11)15-17-13(16)12(21(22)23)14(18-15)20-7-9-24-10-8-20/h2-6H,7-10H2,1H3,(H2,16,17,18)
InChIKeyOAYICUPCGJJDNA-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.57
Rot. Bonds4

About 2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine

2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 3727069) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
PubChem CID3727069
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1
InChIInChI=1S/C15H18N6O3/c1-19(11-5-3-2-4-6-11)15-17-13(16)12(21(22)23)14(18-15)20-7-9-24-10-8-20/h2-6H,7-10H2,1H3,(H2,16,17,18)
InChIKeyOAYICUPCGJJDNA-UHFFFAOYSA-N
XLogP1.57
TPSA110.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine (CID 3727069) is 2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine is CN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1.
What is the InChIKey of 2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is OAYICUPCGJJDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-19(11-5-3-2-4-6-11)15-17-13(16)12(21(22)23)14(18-15)20-7-9-24-10-8-20/h2-6H,7-10H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 330.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-morpholin-4-yl-5-nitro-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 3727069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).