4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine

C13H13N5O2 — CID 1420807

IUPAC4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(NN=Cc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C13H13N5O2/c1-9-7-10(2)16-13(15-9)17-14-8-11-3-5-12(6-4-11)18(19)20/h3-8H,1-2H3,(H,15,16,17)
InChIKeyDHLTVCOJWRVFQV-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.45
Rot. Bonds4

About 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine

4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine (PubChem CID 1420807) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
PubChem CID1420807
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(NN=Cc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C13H13N5O2/c1-9-7-10(2)16-13(15-9)17-14-8-11-3-5-12(6-4-11)18(19)20/h3-8H,1-2H3,(H,15,16,17)
InChIKeyDHLTVCOJWRVFQV-UHFFFAOYSA-N
XLogP2.45
TPSA93.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine 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-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-nitrophenol
CID 135583629
4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 86207768
4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine
CID 2835949
4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-2-N-[(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3914765
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
6-methyl-N-[(4-nitrophenyl)methylideneamino]-2-propan-2-ylsulfanylpyrimidin-4-amine
CID 3074009
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
CID 5149886
4-N-(3,4-dimethylphenyl)-6-N-(4-nitrophenyl)-2-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 6229337
1,5-dimethyl-4-nitro-N-[(4-nitrophenyl)methylideneamino]pyrazol-3-amine
CID 3774421
2-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-N-(3,4-dimethylphenyl)-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 6229336
2-N-[(E)-(4-chlorophenyl)methylideneamino]-4-N-(2-methylphenyl)-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 10116367
2-N-[(E)-(4-methylphenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 92864195

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine (CID 1420807) is 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine is Cc1cc(C)nc(NN=Cc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine?
The InChIKey is DHLTVCOJWRVFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-9-7-10(2)16-13(15-9)17-14-8-11-3-5-12(6-4-11)18(19)20/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine?
4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine has a molecular weight of 271.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 1420807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).