N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C17H17Cl2N3O2 — CID 97146546

IUPACN-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESC[C@H](NC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)C1CC1
InChIInChI=1S/C17H17Cl2N3O2/c1-9(10-5-6-10)21-16(23)12-8-20-15(22-17(12)24)7-11-13(18)3-2-4-14(11)19/h2-4,8-10H,5-7H2,1H3,(H,21,23)(H,20,22,24)/t9-/m0/s1
InChIKeyFWKIUBVTPKUOIB-VIFPVBQESA-N
MW366.25 g/mol
LogP3.20
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97146546) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97146546
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESC[C@H](NC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)C1CC1
InChIInChI=1S/C17H17Cl2N3O2/c1-9(10-5-6-10)21-16(23)12-8-20-15(22-17(12)24)7-11-13(18)3-2-4-14(11)19/h2-4,8-10H,5-7H2,1H3,(H,21,23)(H,20,22,24)/t9-/m0/s1
InChIKeyFWKIUBVTPKUOIB-VIFPVBQESA-N
XLogP3.20
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(2-chlorobenzyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010490
N-[2-(4-chlorophenyl)ethyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16033056
4(1H)-Pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro-
CID 3072549
2-(2,6-Dichlorobenzyl)-5-[(4-methyl-1,4-diazepan-1-yl)carbonyl]pyrimidin-4-ol
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2-(2,6-Dichlorobenzyl)-5-[(4-ethylpiperazin-1-yl)carbonyl]pyrimidin-4-ol
CID 70777849
2-(2,6-Dichlorobenzyl)-5-(piperazin-1-ylcarbonyl)pyrimidin-4-ol
CID 72918311
5-[(3-Aminopyrrolidin-1-yl)carbonyl]-2-(2,6-dichlorobenzyl)pyrimidin-4-ol
CID 72929937
2-(2,6-Dichlorobenzyl)-5-[(4-ethoxypiperidin-1-yl)carbonyl]pyrimidin-4-ol
CID 70708244
2-(2,6-Dichlorobenzyl)-5-(piperidin-1-ylcarbonyl)pyrimidin-4-ol
CID 70734474
2-(2,6-Dichlorobenzyl)-5-(morpholin-4-ylcarbonyl)pyrimidin-4-ol
CID 70738096
2-(2,6-Dichlorobenzyl)-5-[(2-methylpiperidin-1-yl)carbonyl]pyrimidin-4-ol
CID 70766055
2-(2,6-Dichlorobenzyl)-5-[(3-methoxypiperidin-1-yl)carbonyl]pyrimidin-4-ol
CID 70773654

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 97146546) is N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is C[C@H](NC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FWKIUBVTPKUOIB-VIFPVBQESA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-9(10-5-6-10)21-16(23)12-8-20-15(22-17(12)24)7-11-13(18)3-2-4-14(11)19/h2-4,8-10H,5-7H2,1H3,(H,21,23)(H,20,22,24)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97146546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).