2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine

C10H9Cl2N5O2 — CID 114044381

IUPAC2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine
SMILESCc1nn(-c2nc(Cl)nc(C)c2[N+](=O)[O-])c(C)c1Cl
InChIInChI=1S/C10H9Cl2N5O2/c1-4-7(11)6(3)16(15-4)9-8(17(18)19)5(2)13-10(12)14-9/h1-3H3
InChIKeyRONXOSQIDSORLN-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.80
Rot. Bonds2

About 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine

2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine (PubChem CID 114044381) has the molecular formula C10H9Cl2N5O2 and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine
PubChem CID114044381
Molecular FormulaC10H9Cl2N5O2
Molecular Weight302.12 g/mol
Exact Mass301.01
IUPAC Name2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine
SMILESCc1nn(-c2nc(Cl)nc(C)c2[N+](=O)[O-])c(C)c1Cl
InChIInChI=1S/C10H9Cl2N5O2/c1-4-7(11)6(3)16(15-4)9-8(17(18)19)5(2)13-10(12)14-9/h1-3H3
InChIKeyRONXOSQIDSORLN-UHFFFAOYSA-N
XLogP2.80
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.80
H-Bond Donors ≤ 50
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

2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
[1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-yl]methanol
CID 114043094
2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 79631899
1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 114043436
4-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-1,4-diazepan-2-one
CID 114043344
2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane
CID 142192170
(1R)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-nitrophenyl]ethanol
CID 63372268
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865955
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 103322802
2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine
CID 114043150
2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 114043145
N-butyl-2-chloro-N-cyclopropyl-6-methyl-5-nitropyrimidin-4-amine
CID 114043194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine?
The IUPAC name of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine (CID 114044381) is 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine.
What is the SMILES notation for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine?
The canonical SMILES for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine is Cc1nn(-c2nc(Cl)nc(C)c2[N+](=O)[O-])c(C)c1Cl.
What is the InChIKey of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine?
The InChIKey is RONXOSQIDSORLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O2/c1-4-7(11)6(3)16(15-4)9-8(17(18)19)5(2)13-10(12)14-9/h1-3H3.
What are the key properties of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine?
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine has a molecular weight of 302.12 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine is sourced from PubChem (CID 114044381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).