methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate

C11H10ClN5O3 — CID 67221322

IUPACmethyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2cnc(OC)nc2)nc(N)c1Cl
InChIInChI=1S/C11H10ClN5O3/c1-19-10(18)7-6(12)8(13)17-9(16-7)5-3-14-11(20-2)15-4-5/h3-4H,1-2H3,(H2,13,16,17)
InChIKeyVCVKFRSSVNGOOB-UHFFFAOYSA-N
MW295.69 g/mol
LogP0.96
Rot. Bonds3

About methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate

methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate (PubChem CID 67221322) has the molecular formula C11H10ClN5O3 and a molecular weight of 295.69 g/mol. Its IUPAC name is methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate
PubChem CID67221322
Molecular FormulaC11H10ClN5O3
Molecular Weight295.69 g/mol
Exact Mass295.05
IUPAC Namemethyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2cnc(OC)nc2)nc(N)c1Cl
InChIInChI=1S/C11H10ClN5O3/c1-19-10(18)7-6(12)8(13)17-9(16-7)5-3-14-11(20-2)15-4-5/h3-4H,1-2H3,(H2,13,16,17)
InChIKeyVCVKFRSSVNGOOB-UHFFFAOYSA-N
XLogP0.96
TPSA113.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate
CID 58291728
methyl 6-amino-5-chloro-2-(4-methylphenyl)pyrimidine-4-carboxylate;methyl 2,5-dichloro-6-methylpyrimidine-4-carboxylate
CID 157406349
methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate
CID 58291743
methyl 6-amino-5-chloropyrimidine-4-carboxylate
CID 118996637
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate
CID 22677295
methyl 6-amino-5-bromo-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxylate
CID 59432116
methyl 6-amino-5-methyl-2-(6-nitro-3-pyridinyl)pyrimidine-4-carboxylate
CID 143893432
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 6-amino-5-chloro-2-[2-(4-fluorophenyl)-1,3-dioxol-4-yl]pyrimidine-4-carboxylate
CID 66954765
methyl 6-amino-2-(4-chloro-2-fluoro-3-methoxyphenyl)-5-(1-fluoroethenyl)pyrimidine-4-carboxylate
CID 59432106
methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate
CID 137484732

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate (CID 67221322) is methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate is COC(=O)c1nc(-c2cnc(OC)nc2)nc(N)c1Cl.
What is the InChIKey of methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate?
The InChIKey is VCVKFRSSVNGOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3/c1-19-10(18)7-6(12)8(13)17-9(16-7)5-3-14-11(20-2)15-4-5/h3-4H,1-2H3,(H2,13,16,17).
What are the key properties of methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate?
methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate has a molecular weight of 295.69 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 67221322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).