methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate

C13H12N4O4 — CID 69159261

IUPACmethyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate
SMILESCOC(=O)Oc1cc(C(=O)NCc2ccncc2)ncn1
InChIInChI=1S/C13H12N4O4/c1-20-13(19)21-11-6-10(16-8-17-11)12(18)15-7-9-2-4-14-5-3-9/h2-6,8H,7H2,1H3,(H,15,18)
InChIKeyCNZKXJMVMDPIDK-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.95
Rot. Bonds4

About methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate

methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate (PubChem CID 69159261) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate.

Molecular Properties

Compound Namemethyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate
PubChem CID69159261
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Namemethyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate
SMILESCOC(=O)Oc1cc(C(=O)NCc2ccncc2)ncn1
InChIInChI=1S/C13H12N4O4/c1-20-13(19)21-11-6-10(16-8-17-11)12(18)15-7-9-2-4-14-5-3-9/h2-6,8H,7H2,1H3,(H,15,18)
InChIKeyCNZKXJMVMDPIDK-UHFFFAOYSA-N
XLogP0.95
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109338279
6-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348842
6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350320
[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate
CID 69160390
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 67218717
4-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-dicarboxamide
CID 10071167
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348017
1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110681696
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
CID 47408889

Frequently Asked Questions

What is the IUPAC name of methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate?
The IUPAC name of methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate (CID 69159261) is methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate.
What is the SMILES notation for methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate?
The canonical SMILES for methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate is COC(=O)Oc1cc(C(=O)NCc2ccncc2)ncn1.
What is the InChIKey of methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate?
The InChIKey is CNZKXJMVMDPIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-20-13(19)21-11-6-10(16-8-17-11)12(18)15-7-9-2-4-14-5-3-9/h2-6,8H,7H2,1H3,(H,15,18).
What are the key properties of methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate?
methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate has a molecular weight of 288.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate is sourced from PubChem (CID 69159261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).