[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate

C17H15Cl2N5O2 — CID 17122176

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate
SMILESCc1cc(C)nc(-n2nc(C)cc2OC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H15Cl2N5O2/c1-9-6-10(2)21-16(20-9)24-15(7-11(3)23-24)26-17(25)22-12-4-5-13(18)14(19)8-12/h4-8H,1-3H3,(H,22,25)
InChIKeyKOMHPBFNMXCBTE-UHFFFAOYSA-N
MW392.25 g/mol
LogP4.51
Rot. Bonds3

About [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate

[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate (PubChem CID 17122176) has the molecular formula C17H15Cl2N5O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate
PubChem CID17122176
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.25 g/mol
Exact Mass391.06
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate
SMILESCc1cc(C)nc(-n2nc(C)cc2OC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H15Cl2N5O2/c1-9-6-10(2)21-16(20-9)24-15(7-11(3)23-24)26-17(25)22-12-4-5-13(18)14(19)8-12/h4-8H,1-3H3,(H,22,25)
InChIKeyKOMHPBFNMXCBTE-UHFFFAOYSA-N
XLogP4.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate
CID 17122164
(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
CID 4318743
N-(3,4-dichlorophenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332307
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334378
(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
CID 7996910
N-(3,4-dichlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 17059932
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
[2-(3,4-dichloroanilino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 4006355
N-(3,4-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333175
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560

Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate (CID 17122176) is [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate is Cc1cc(C)nc(-n2nc(C)cc2OC(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate?
The InChIKey is KOMHPBFNMXCBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2/c1-9-6-10(2)21-16(20-9)24-15(7-11(3)23-24)26-17(25)22-12-4-5-13(18)14(19)8-12/h4-8H,1-3H3,(H,22,25).
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate?
[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate has a molecular weight of 392.25 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 17122176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).