N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide

C28H27N3O5 — CID 89463204

IUPACN-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnc(COCc3ccccc3)[nH]c2=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H27N3O5/c1-34-22-12-8-20(9-13-22)26(21-10-14-23(35-2)15-11-21)31-28(33)24-16-29-25(30-27(24)32)18-36-17-19-6-4-3-5-7-19/h3-16,26H,17-18H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyNAFXHFLJBHMNPT-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.02
Rot. Bonds10

About N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide

N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 89463204) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide
PubChem CID89463204
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnc(COCc3ccccc3)[nH]c2=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H27N3O5/c1-34-22-12-8-20(9-13-22)26(21-10-14-23(35-2)15-11-21)31-28(33)24-16-29-25(30-27(24)32)18-36-17-19-6-4-3-5-7-19/h3-16,26H,17-18H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyNAFXHFLJBHMNPT-UHFFFAOYSA-N
XLogP4.02
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-[bis(4-methoxyphenyl)methylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 121272870
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72879148
5-N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-N-(2-oxoethyl)-1H-pyrimidine-2,5-dicarboxamide
CID 129057687
N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 123951022
hydroxy-[4-[(4-methoxyphenyl)-[(6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carbonyl)amino]methyl]phenyl]-oxophosphanium
CID 71537024
N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 90346975
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51596082
3-[[5-[[(6-ethyl-3-pyridinyl)-(4-methoxyphenyl)methyl]carbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 121277677
2-[[(carboxymethylamino)-[4-[(4-methoxyphenyl)-[(6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carbonyl)amino]methyl]phenyl]phosphoryl]amino]acetic acid
CID 135360359
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
butane;hydroxy-oxo-[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenoxy]phosphanium
CID 89462711

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide (CID 89463204) is N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide is COc1ccc(C(NC(=O)c2cnc(COCc3ccccc3)[nH]c2=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is NAFXHFLJBHMNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-34-22-12-8-20(9-13-22)26(21-10-14-23(35-2)15-11-21)31-28(33)24-16-29-25(30-27(24)32)18-36-17-19-6-4-3-5-7-19/h3-16,26H,17-18H2,1-2H3,(H,31,33)(H,29,30,32).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide?
N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 89463204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).