2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide

C14H14ClN3O2 — CID 88853958

IUPAC2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide
SMILESCc1nc(Cl)cc(Oc2ccccc2C(=O)N(C)C)n1
InChIInChI=1S/C14H14ClN3O2/c1-9-16-12(15)8-13(17-9)20-11-7-5-4-6-10(11)14(19)18(2)3/h4-8H,1-3H3
InChIKeyCXSLQLNNSQBPLA-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.93
Rot. Bonds3

About 2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide

2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide (PubChem CID 88853958) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide
PubChem CID88853958
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide
SMILESCc1nc(Cl)cc(Oc2ccccc2C(=O)N(C)C)n1
InChIInChI=1S/C14H14ClN3O2/c1-9-16-12(15)8-13(17-9)20-11-7-5-4-6-10(11)14(19)18(2)3/h4-8H,1-3H3
InChIKeyCXSLQLNNSQBPLA-UHFFFAOYSA-N
XLogP2.93
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[(4-chloro-6-methoxy-2-pyrimidinyl)oxy]benzoate
CID 850265
3-chloro-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one;hydrochloride
CID 45263277
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide
CID 884726
2-(2,2-difluoroethoxy)-N-{2-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]ethyl}-N-ethylbenzamide
CID 121416928
N-{2-[(4, 6-dimethylpyrimidin-2-yl)(methyl)amino]ethyl}-N-ethyl-2-(2,2,2-trifluoroethoxy)-benzamide
CID 132209822
N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-2-ethoxy-N-ethylbenzamide
CID 121416940
(5-Chloro-2-methoxyphenyl)(4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl)methanone
CID 42473474
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)-2-methoxybenzamide
CID 45502723
6-{[1-(2-Methoxybenzoyl)pyrrolidin-3-YL]oxy}-N,N-dimethylpyrimidin-4-amine
CID 53185818
2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide
CID 5006468
[4-(2-Amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 36835713
(2-Chloro-4-fluorophenyl)(4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl)methanone
CID 42473472

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide?
The IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide (CID 88853958) is 2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide.
What is the SMILES notation for 2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide?
The canonical SMILES for 2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide is Cc1nc(Cl)cc(Oc2ccccc2C(=O)N(C)C)n1.
What is the InChIKey of 2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide?
The InChIKey is CXSLQLNNSQBPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-16-12(15)8-13(17-9)20-11-7-5-4-6-10(11)14(19)18(2)3/h4-8H,1-3H3.
What are the key properties of 2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide?
2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide has a molecular weight of 291.74 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide is sourced from PubChem (CID 88853958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).