[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate

C14H13N3O5 — CID 69160390

IUPAC[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate
SMILESCOc1cccc(CNC(=O)c2cc(OC(=O)O)ncn2)c1
InChIInChI=1S/C14H13N3O5/c1-21-10-4-2-3-9(5-10)7-15-13(18)11-6-12(17-8-16-11)22-14(19)20/h2-6,8H,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyLUORGAMPIZQJAD-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.47
Rot. Bonds5

About [6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate

[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate (PubChem CID 69160390) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is [6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate
PubChem CID69160390
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate
SMILESCOc1cccc(CNC(=O)c2cc(OC(=O)O)ncn2)c1
InChIInChI=1S/C14H13N3O5/c1-21-10-4-2-3-9(5-10)7-15-13(18)11-6-12(17-8-16-11)22-14(19)20/h2-6,8H,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyLUORGAMPIZQJAD-UHFFFAOYSA-N
XLogP1.47
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167899
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046
methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate
CID 69159261
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109349158
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949

Frequently Asked Questions

What is the IUPAC name of [6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate?
The IUPAC name of [6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate (CID 69160390) is [6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate.
What is the SMILES notation for [6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate?
The canonical SMILES for [6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate is COc1cccc(CNC(=O)c2cc(OC(=O)O)ncn2)c1.
What is the InChIKey of [6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate?
The InChIKey is LUORGAMPIZQJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-21-10-4-2-3-9(5-10)7-15-13(18)11-6-12(17-8-16-11)22-14(19)20/h2-6,8H,7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of [6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate?
[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate has a molecular weight of 303.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate is sourced from PubChem (CID 69160390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).