2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine

C19H15ClN4O2 — CID 3090149

IUPAC2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine
SMILESCN(c1ccccc1)c1nc(Cl)nc(C=Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C19H15ClN4O2/c1-23(15-10-6-3-7-11-15)18-17(24(25)26)16(21-19(20)22-18)13-12-14-8-4-2-5-9-14/h2-13H,1H3
InChIKeyPVNNIIBEPCNWIA-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.98
Rot. Bonds5

About 2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine

2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine (PubChem CID 3090149) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine
PubChem CID3090149
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine
SMILESCN(c1ccccc1)c1nc(Cl)nc(C=Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C19H15ClN4O2/c1-23(15-10-6-3-7-11-15)18-17(24(25)26)16(21-19(20)22-18)13-12-14-8-4-2-5-9-14/h2-13H,1H3
InChIKeyPVNNIIBEPCNWIA-UHFFFAOYSA-N
XLogP4.98
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine
CID 40517396
2-amino-4-(N-methylanilino)-5-nitro-1H-pyrimidin-6-one
CID 136650976
4-N,6-dimethyl-5-nitro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 3122465
6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-nitro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 6259954
6-[2-[4-(N-methylanilino)phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
CID 3941765
(E)-3-[3-[[4-methyl-6-(N-methylanilino)-5-nitropyrimidin-2-yl]amino]phenyl]prop-2-enoate
CID 7452741
6-(N-methylanilino)-5-nitropyridine-2-carboxylic acid
CID 114403394
3-fluoro-N-methyl-2-nitro-N-phenylaniline
CID 62663622
2-N-(4-iodophenyl)-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine
CID 4298093
2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine
CID 4644268
2-chloro-N-(4-methoxyphenyl)-N-methyl-6-nitroquinazolin-4-amine
CID 11609884
N-methyl-4-nitro-N-phenylaniline
CID 11287619

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine (CID 3090149) is 2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine is CN(c1ccccc1)c1nc(Cl)nc(C=Cc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine?
The InChIKey is PVNNIIBEPCNWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-23(15-10-6-3-7-11-15)18-17(24(25)26)16(21-19(20)22-18)13-12-14-8-4-2-5-9-14/h2-13H,1H3.
What are the key properties of 2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine?
2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine has a molecular weight of 366.81 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine is sourced from PubChem (CID 3090149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).