6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide

C25H21N3O3 — CID 121167975

IUPAC6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C25H21N3O3/c29-25(23-15-24(27-18-26-23)31-17-20-9-5-2-6-10-20)28-21-11-13-22(14-12-21)30-16-19-7-3-1-4-8-19/h1-15,18H,16-17H2,(H,28,29)
InChIKeyNWLPKWODMWQFRJ-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.89
Rot. Bonds8

About 6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide

6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 121167975) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID121167975
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C25H21N3O3/c29-25(23-15-24(27-18-26-23)31-17-20-9-5-2-6-10-20)28-21-11-13-22(14-12-21)30-16-19-7-3-1-4-8-19/h1-15,18H,16-17H2,(H,28,29)
InChIKeyNWLPKWODMWQFRJ-UHFFFAOYSA-N
XLogP4.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167799
N-(4-chloro-3-nitrophenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167939
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 91816344
N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167837
6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 91816331
N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167810
N-(3-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167809
6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
CID 171836519
ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167835
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167926
N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167981
N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167812

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide (CID 121167975) is 6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(OCc2ccccc2)ncn1.
What is the InChIKey of 6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is NWLPKWODMWQFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-25(23-15-24(27-18-26-23)31-17-20-9-5-2-6-10-20)28-21-11-13-22(14-12-21)30-16-19-7-3-1-4-8-19/h1-15,18H,16-17H2,(H,28,29).
What are the key properties of 6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide?
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121167975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).