N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide

C19H23N3O4 — CID 133132920

IUPACN-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide
SMILESCOC[C@@H]1CCC[C@@H]1NC(=O)c1cnc(COc2ccccc2)[nH]c1=O
InChIInChI=1S/C19H23N3O4/c1-25-11-13-6-5-9-16(13)21-18(23)15-10-20-17(22-19(15)24)12-26-14-7-3-2-4-8-14/h2-4,7-8,10,13,16H,5-6,9,11-12H2,1H3,(H,21,23)(H,20,22,24)/t13-,16-/m0/s1
InChIKeyGATLOVKIHYRLRO-BBRMVZONSA-N
MW357.41 g/mol
LogP1.89
Rot. Bonds7

About N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide

N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 133132920) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide
PubChem CID133132920
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide
SMILESCOC[C@@H]1CCC[C@@H]1NC(=O)c1cnc(COc2ccccc2)[nH]c1=O
InChIInChI=1S/C19H23N3O4/c1-25-11-13-6-5-9-16(13)21-18(23)15-10-20-17(22-19(15)24)12-26-14-7-3-2-4-8-14/h2-4,7-8,10,13,16H,5-6,9,11-12H2,1H3,(H,21,23)(H,20,22,24)/t13-,16-/m0/s1
InChIKeyGATLOVKIHYRLRO-BBRMVZONSA-N
XLogP1.89
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide (CID 133132920) is N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide is COC[C@@H]1CCC[C@@H]1NC(=O)c1cnc(COc2ccccc2)[nH]c1=O.
What is the InChIKey of N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is GATLOVKIHYRLRO-BBRMVZONSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-25-11-13-6-5-9-16(13)21-18(23)15-10-20-17(22-19(15)24)12-26-14-7-3-2-4-8-14/h2-4,7-8,10,13,16H,5-6,9,11-12H2,1H3,(H,21,23)(H,20,22,24)/t13-,16-/m0/s1.
What are the key properties of N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide?
N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 133132920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).