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

C19H19N5O2 — CID 3119600

IUPAC6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2C)n1
InChIInChI=1S/C19H19N5O2/c1-12-8-4-6-10-15(12)21-18-17(24(25)26)14(3)20-19(23-18)22-16-11-7-5-9-13(16)2/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyVSBUARGUZLRIHS-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.80
Rot. Bonds5

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

6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine (PubChem CID 3119600) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine
PubChem CID3119600
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2C)n1
InChIInChI=1S/C19H19N5O2/c1-12-8-4-6-10-15(12)21-18-17(24(25)26)14(3)20-19(23-18)22-16-11-7-5-9-13(16)2/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyVSBUARGUZLRIHS-UHFFFAOYSA-N
XLogP4.80
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
CID 2852163
4-N-(2-methoxyphenyl)-6-methyl-2-N-naphthalen-1-yl-5-nitropyrimidine-2,4-diamine
CID 3097075
2-[[4-(4-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenol
CID 3284100
6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine
CID 4657246
N-[4-[[4-(2-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenyl]acetamide
CID 3977213
6-ethyl-2-N-(2-methylphenyl)-5-nitropyrimidine-2,4-diamine
CID 68895391
4-N-methyl-2-N-(2-methylphenyl)-5-nitropyrimidine-2,4-diamine
CID 21077398
1-[4-[(4-anilino-6-methyl-5-nitropyrimidin-2-yl)amino]phenyl]ethanone
CID 3387351
methyl 2-chloro-5-[[4-(2-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate
CID 23732508
4-N-(2-methylphenyl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 23481998
4-[[2-(4-carbamoylanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]benzamide
CID 2859302
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine (CID 3119600) is 6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine is Cc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2C)n1.
What is the InChIKey of 6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine?
The InChIKey is VSBUARGUZLRIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-8-4-6-10-15(12)21-18-17(24(25)26)14(3)20-19(23-18)22-16-11-7-5-9-13(16)2/h4-11H,1-3H3,(H2,20,21,22,23).
What are the key properties of 6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine?
6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine has a molecular weight of 349.39 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 3119600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).