(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate

C6H5ClN2O4 — CID 67791743

IUPAC(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate
SMILESCOc1ncc(Cl)c(OC(=O)O)n1
InChIInChI=1S/C6H5ClN2O4/c1-12-5-8-2-3(7)4(9-5)13-6(10)11/h2H,1H3,(H,10,11)
InChIKeyCCOAZXIMPXTLGZ-UHFFFAOYSA-N
MW204.57 g/mol
LogP1.20
Rot. Bonds2

About (5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate

(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate (PubChem CID 67791743) has the molecular formula C6H5ClN2O4 and a molecular weight of 204.57 g/mol. Its IUPAC name is (5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate
PubChem CID67791743
Molecular FormulaC6H5ClN2O4
Molecular Weight204.57 g/mol
Exact Mass203.99
IUPAC Name(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate
SMILESCOc1ncc(Cl)c(OC(=O)O)n1
InChIInChI=1S/C6H5ClN2O4/c1-12-5-8-2-3(7)4(9-5)13-6(10)11/h2H,1H3,(H,10,11)
InChIKeyCCOAZXIMPXTLGZ-UHFFFAOYSA-N
XLogP1.20
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.57
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine
CID 80752764
2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate
CID 166585585
2-(5-chloro-2-methoxypyrimidin-4-yl)-1-phenylethanone
CID 80752358
2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol
CID 107709676
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
(4-chlorophenyl)-(2,4-dimethoxypyrimidin-5-yl)methanone
CID 102421117
4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine
CID 80752670
3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoic acid
CID 688431
methyl 3-chloro-4-(2,4-dimethoxypyrimidin-5-yl)benzoate
CID 67256583
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 80758540
1-(5-chloro-2-methoxypyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 80758705
3-chloro-4-[(5-chloro-2-methoxypyrimidin-4-yl)amino]benzoic acid
CID 80757990

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate?
The IUPAC name of (5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate (CID 67791743) is (5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate.
What is the SMILES notation for (5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate?
The canonical SMILES for (5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate is COc1ncc(Cl)c(OC(=O)O)n1.
What is the InChIKey of (5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate?
The InChIKey is CCOAZXIMPXTLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O4/c1-12-5-8-2-3(7)4(9-5)13-6(10)11/h2H,1H3,(H,10,11).
What are the key properties of (5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate?
(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate has a molecular weight of 204.57 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate is sourced from PubChem (CID 67791743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).