2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine

C19H19N5O4 — CID 2852163

IUPAC2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2OC)n1
InChIInChI=1S/C19H19N5O4/c1-12-17(24(25)26)18(21-13-8-4-6-10-15(13)27-2)23-19(20-12)22-14-9-5-7-11-16(14)28-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyWGOCNLUAWQONCG-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.20
Rot. Bonds7

About 2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine

2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine (PubChem CID 2852163) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
PubChem CID2852163
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2OC)n1
InChIInChI=1S/C19H19N5O4/c1-12-17(24(25)26)18(21-13-8-4-6-10-15(13)27-2)23-19(20-12)22-14-9-5-7-11-16(14)28-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyWGOCNLUAWQONCG-UHFFFAOYSA-N
XLogP4.20
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
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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Related Compounds

4-N-(2-methoxyphenyl)-6-methyl-2-N-naphthalen-1-yl-5-nitropyrimidine-2,4-diamine
CID 3097075
N-[4-[[4-(2-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenyl]acetamide
CID 3977213
6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine
CID 3119600
methyl 2-chloro-5-[[4-(2-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate
CID 23732508
2-(2-hydroxyanilino)-6-(2-methoxyanilino)-5-nitropyrimidine-4-carboxylic acid
CID 57474633
2-[[4-(4-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenol
CID 3284100
N-(2-methoxyphenyl)-6-methyl-2-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 3113552
2-N-(2-methoxyphenyl)-4-N-methyl-5-nitropyrimidine-2,4-diamine
CID 21077397
6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine
CID 4657246
4-[[4-(4-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenol
CID 4312871
6-N-(3,4-dimethylphenyl)-4-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23484865
4-N-(2-methoxyphenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 23487944

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine (CID 2852163) is 2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine is COc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2OC)n1.
What is the InChIKey of 2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine?
The InChIKey is WGOCNLUAWQONCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-12-17(24(25)26)18(21-13-8-4-6-10-15(13)27-2)23-19(20-12)22-14-9-5-7-11-16(14)28-3/h4-11H,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine?
2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine has a molecular weight of 381.39 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 2852163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).