N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride

C17H21ClN4O3 — CID 137064245

IUPACN-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride
SMILESCc1cc(=O)[nH]c(-c2ccc(NC(=O)CC3COCCN3)cc2)n1.Cl
InChIInChI=1S/C17H20N4O3.ClH/c1-11-8-15(22)21-17(19-11)12-2-4-13(5-3-12)20-16(23)9-14-10-24-7-6-18-14;/h2-5,8,14,18H,6-7,9-10H2,1H3,(H,20,23)(H,19,21,22);1H
InChIKeyIMRXDHMUDHYEKC-UHFFFAOYSA-N
MW364.83 g/mol
LogP1.48
Rot. Bonds4

About N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride

N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride (PubChem CID 137064245) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride
PubChem CID137064245
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC NameN-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride
SMILESCc1cc(=O)[nH]c(-c2ccc(NC(=O)CC3COCCN3)cc2)n1.Cl
InChIInChI=1S/C17H20N4O3.ClH/c1-11-8-15(22)21-17(19-11)12-2-4-13(5-3-12)20-16(23)9-14-10-24-7-6-18-14;/h2-5,8,14,18H,6-7,9-10H2,1H3,(H,20,23)(H,19,21,22);1H
InChIKeyIMRXDHMUDHYEKC-UHFFFAOYSA-N
XLogP1.48
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-dioxolan-2-yl)phenyl]-2-morpholin-3-ylacetamide
CID 106911781
N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95727200
2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide
CID 95726365
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95720015
2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide
CID 95719956
N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 138042321
N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-morpholin-3-ylacetamide
CID 56889679
N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95712846
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 137028895
N-(4-chloropyrimidin-2-yl)-2-morpholin-3-ylacetamide
CID 114052312
N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-morpholin-3-ylacetamide
CID 56908804
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide
CID 95728474

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride (CID 137064245) is N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride is Cc1cc(=O)[nH]c(-c2ccc(NC(=O)CC3COCCN3)cc2)n1.Cl.
What is the InChIKey of N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride?
The InChIKey is IMRXDHMUDHYEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3.ClH/c1-11-8-15(22)21-17(19-11)12-2-4-13(5-3-12)20-16(23)9-14-10-24-7-6-18-14;/h2-5,8,14,18H,6-7,9-10H2,1H3,(H,20,23)(H,19,21,22);1H.
What are the key properties of N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride?
N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride has a molecular weight of 364.83 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 137064245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).