6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate

C14H10ClN2O3- — CID 140735616

IUPAC6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(OC3CC3)c(Cl)c2)ncn1
InChIInChI=1S/C14H11ClN2O3/c15-10-5-8(1-4-13(10)20-9-2-3-9)11-6-12(14(18)19)17-7-16-11/h1,4-7,9H,2-3H2,(H,18,19)/p-1
InChIKeyUPKQDTLLVVTZQT-UHFFFAOYSA-M
MW289.70 g/mol
LogP1.70
Rot. Bonds4

About 6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate

6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate (PubChem CID 140735616) has the molecular formula C14H10ClN2O3- and a molecular weight of 289.70 g/mol. Its IUPAC name is 6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Name6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate
PubChem CID140735616
Molecular FormulaC14H10ClN2O3-
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(OC3CC3)c(Cl)c2)ncn1
InChIInChI=1S/C14H11ClN2O3/c15-10-5-8(1-4-13(10)20-9-2-3-9)11-6-12(14(18)19)17-7-16-11/h1,4-7,9H,2-3H2,(H,18,19)/p-1
InChIKeyUPKQDTLLVVTZQT-UHFFFAOYSA-M
XLogP1.70
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-chloro-4-(oxetan-3-yloxy)phenyl]pyrimidine-4-carboxylic acid
CID 71282615
6-[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]pyrimidine-4-carboxylate
CID 140735620
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine
CID 71282704
(Z)-[amino-[6-[3-chloro-4-(cyclopropylmethoxy)phenyl]pyrimidin-4-yl]methylidene]carbamic acid
CID 144518969
4-(3-chloro-4-cyclopropyloxyphenyl)pyridine
CID 71282606
[amino-[6-[3-chloro-4-(cyclopropylamino)phenyl]pyrimidin-4-yl]methylidene]carbamic acid
CID 123243529
(4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone
CID 71292463
sodium 6-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)pyrimidine-4-carboxylate
CID 140735625
6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide
CID 144518887
methyl 6-(3-chloro-4-methylphenyl)pyrimidine-4-carboxylate
CID 67218962
[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 123984314

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate?
The IUPAC name of 6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate (CID 140735616) is 6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate.
What is the SMILES notation for 6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate?
The canonical SMILES for 6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate is O=C([O-])c1cc(-c2ccc(OC3CC3)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate?
The InChIKey is UPKQDTLLVVTZQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-5-8(1-4-13(10)20-9-2-3-9)11-6-12(14(18)19)17-7-16-11/h1,4-7,9H,2-3H2,(H,18,19)/p-1.
What are the key properties of 6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate?
6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate has a molecular weight of 289.70 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 140735616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).