N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide

C11H14ClN3O3 — CID 114053500

IUPACN-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)C2CCCOC2)n1
InChIInChI=1S/C11H14ClN3O3/c1-17-9-5-8(12)13-11(14-9)15-10(16)7-3-2-4-18-6-7/h5,7H,2-4,6H2,1H3,(H,13,14,15,16)
InChIKeyMETXIKZIEFGZGS-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.50
Rot. Bonds3

About N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide

N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide (PubChem CID 114053500) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide
PubChem CID114053500
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC NameN-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)C2CCCOC2)n1
InChIInChI=1S/C11H14ClN3O3/c1-17-9-5-8(12)13-11(14-9)15-10(16)7-3-2-4-18-6-7/h5,7H,2-4,6H2,1H3,(H,13,14,15,16)
InChIKeyMETXIKZIEFGZGS-UHFFFAOYSA-N
XLogP1.50
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide
CID 114053517
N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
CID 110859516
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
N-(6-methoxypyridazin-3-yl)oxolane-3-carboxamide
CID 155503304
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
N-(4-carbamothioyl-2-methoxyphenyl)oxane-3-carboxamide
CID 104849448
(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol
CID 91771624
(6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone
CID 107136044
(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107624816
N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000
methyl 2-(oxane-3-carbonylamino)benzoate
CID 55109995
N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide
CID 81028663

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide?
The IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide (CID 114053500) is N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide.
What is the SMILES notation for N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide?
The canonical SMILES for N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide is COc1cc(Cl)nc(NC(=O)C2CCCOC2)n1.
What is the InChIKey of N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide?
The InChIKey is METXIKZIEFGZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-17-9-5-8(12)13-11(14-9)15-10(16)7-3-2-4-18-6-7/h5,7H,2-4,6H2,1H3,(H,13,14,15,16).
What are the key properties of N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide?
N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide has a molecular weight of 271.70 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide is sourced from PubChem (CID 114053500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).