4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine

C14H11ClN6O2 — CID 175755611

IUPAC4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine
SMILESCc1c(-c2ccccc2Cl)nc(N)nc1-n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H11ClN6O2/c1-8-12(10-4-2-3-5-11(10)15)18-14(16)19-13(8)20-7-9(6-17-20)21(22)23/h2-7H,1H3,(H2,16,18,19)
InChIKeyXZNBNADBRNQVOR-UHFFFAOYSA-N
MW330.74 g/mol
LogP2.78
Rot. Bonds3

About 4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine

4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine (PubChem CID 175755611) has the molecular formula C14H11ClN6O2 and a molecular weight of 330.74 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine
PubChem CID175755611
Molecular FormulaC14H11ClN6O2
Molecular Weight330.74 g/mol
Exact Mass330.06
IUPAC Name4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine
SMILESCc1c(-c2ccccc2Cl)nc(N)nc1-n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H11ClN6O2/c1-8-12(10-4-2-3-5-11(10)15)18-14(16)19-13(8)20-7-9(6-17-20)21(22)23/h2-7H,1H3,(H2,16,18,19)
InChIKeyXZNBNADBRNQVOR-UHFFFAOYSA-N
XLogP2.78
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
7-(4-Chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1489154
N'-[4-(2-chlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 18334999
6-N-[2-[[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 22142771
4-Chloro-6-[4-[(2-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164616334
4-Chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164618782
4-(4-Benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine
CID 164626130
4-Chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 166101462
4-[4-Benzyl-1-(trifluoromethyl)pyrazol-3-yl]-6-chloropyrimidin-2-amine
CID 166101518
4-Chloro-6-[4-[(2-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 166101607
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-1-(3-nitro-2-pyridinyl)piperidine
CID 3693540
4-N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-5-nitropyrimidine-4,6-diamine
CID 9680914

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine (CID 175755611) is 4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine is Cc1c(-c2ccccc2Cl)nc(N)nc1-n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is XZNBNADBRNQVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2/c1-8-12(10-4-2-3-5-11(10)15)18-14(16)19-13(8)20-7-9(6-17-20)21(22)23/h2-7H,1H3,(H2,16,18,19).
What are the key properties of 4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine?
4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 330.74 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 175755611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).