(2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid

C12H11N3O3 — CID 170166465

IUPAC(2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid
SMILESCOc1c(NC(=O)O)cccc1-c1ncccn1
InChIInChI=1S/C12H11N3O3/c1-18-10-8(11-13-6-3-7-14-11)4-2-5-9(10)15-12(16)17/h2-7,15H,1H3,(H,16,17)
InChIKeyLFYMWSFTOZGWMN-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.24
Rot. Bonds3

About (2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid

(2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid (PubChem CID 170166465) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is (2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid.

Molecular Properties

Compound Name(2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid
PubChem CID170166465
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name(2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid
SMILESCOc1c(NC(=O)O)cccc1-c1ncccn1
InChIInChI=1S/C12H11N3O3/c1-18-10-8(11-13-6-3-7-14-11)4-2-5-9(10)15-12(16)17/h2-7,15H,1H3,(H,16,17)
InChIKeyLFYMWSFTOZGWMN-UHFFFAOYSA-N
XLogP2.24
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-pyrimidin-2-ylphenol
CID 90882512
(4-methoxyquinolin-8-yl)carbamic acid
CID 155211747
[2-(hydroxymethyl)-3-pyridinyl]carbamic acid
CID 69010841
[2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid
CID 175129828
2-(3-tert-butyl-2-methoxyphenyl)pyrimidine
CID 118462786
methyl N-quinolin-5-ylcarbamate
CID 110734012
2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine
CID 169050093
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
CID 175957147
2-methoxy-3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30334062
(2-fluoro-3-methoxyphenyl)carbamic acid
CID 66876605

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid?
The IUPAC name of (2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid (CID 170166465) is (2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid.
What is the SMILES notation for (2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid?
The canonical SMILES for (2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid is COc1c(NC(=O)O)cccc1-c1ncccn1.
What is the InChIKey of (2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid?
The InChIKey is LFYMWSFTOZGWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-10-8(11-13-6-3-7-14-11)4-2-5-9(10)15-12(16)17/h2-7,15H,1H3,(H,16,17).
What are the key properties of (2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid?
(2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid has a molecular weight of 245.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid is sourced from PubChem (CID 170166465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).