(4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide

C17H18ClN5O2 — CID 71459861

IUPAC(4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)[C@@H]1CN(c2ncccn2)C(=O)N1C
InChIInChI=1S/C17H18ClN5O2/c1-11-12(5-3-6-13(11)18)9-21-15(24)14-10-23(17(25)22(14)2)16-19-7-4-8-20-16/h3-8,14H,9-10H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyJYKICZOIHPUBHK-AWEZNQCLSA-N
MW359.82 g/mol
LogP2.00
Rot. Bonds4

About (4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide

(4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide (PubChem CID 71459861) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is (4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide
PubChem CID71459861
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name(4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)[C@@H]1CN(c2ncccn2)C(=O)N1C
InChIInChI=1S/C17H18ClN5O2/c1-11-12(5-3-6-13(11)18)9-21-15(24)14-10-23(17(25)22(14)2)16-19-7-4-8-20-16/h3-8,14H,9-10H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyJYKICZOIHPUBHK-AWEZNQCLSA-N
XLogP2.00
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide (CID 71459861) is (4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide is Cc1c(Cl)cccc1CNC(=O)[C@@H]1CN(c2ncccn2)C(=O)N1C.
What is the InChIKey of (4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide?
The InChIKey is JYKICZOIHPUBHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-11-12(5-3-6-13(11)18)9-21-15(24)14-10-23(17(25)22(14)2)16-19-7-4-8-20-16/h3-8,14H,9-10H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide?
(4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-chloro-2-methylphenyl)methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide is sourced from PubChem (CID 71459861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).