2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide

C18H17Cl2N5O2 — CID 70750007

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C18H17Cl2N5O2/c1-25(6-5-11-8-22-23-9-11)18(27)13-10-21-16(24-17(13)26)7-12-14(19)3-2-4-15(12)20/h2-4,8-10H,5-7H2,1H3,(H,22,23)(H,21,24,26)
InChIKeyJKOGNLWKTFCDBD-UHFFFAOYSA-N
MW406.27 g/mol
LogP2.71
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide

2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 70750007) has the molecular formula C18H17Cl2N5O2 and a molecular weight of 406.27 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide
PubChem CID70750007
Molecular FormulaC18H17Cl2N5O2
Molecular Weight406.27 g/mol
Exact Mass405.08
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C18H17Cl2N5O2/c1-25(6-5-11-8-22-23-9-11)18(27)13-10-21-16(24-17(13)26)7-12-14(19)3-2-4-15(12)20/h2-4,8-10H,5-7H2,1H3,(H,22,23)(H,21,24,26)
InChIKeyJKOGNLWKTFCDBD-UHFFFAOYSA-N
XLogP2.71
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 70754474
ethyl 2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022661
2-[(2,6-dichlorophenyl)methyl]-N-[(2S)-1-hydroxybutan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70743432
2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113331776
2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70728089
5-bromo-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one
CID 66316991
2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 70740218
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 42214678
3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 45175377
2-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide
CID 97151067
methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate
CID 58958507
2-[(2,6-dichlorophenyl)methyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyrimidin-6-one
CID 70714841

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide (CID 70750007) is 2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide is CN(CCc1cn[nH]c1)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is JKOGNLWKTFCDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2/c1-25(6-5-11-8-22-23-9-11)18(27)13-10-21-16(24-17(13)26)7-12-14(19)3-2-4-15(12)20/h2-4,8-10H,5-7H2,1H3,(H,22,23)(H,21,24,26).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 406.27 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70750007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).