N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide

C18H15N3O2 — CID 121167780

IUPACN-phenyl-6-phenylmethoxypyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C18H15N3O2/c22-18(21-15-9-5-2-6-10-15)16-11-17(20-13-19-16)23-12-14-7-3-1-4-8-14/h1-11,13H,12H2,(H,21,22)
InChIKeyBSYBTAONSFHIDV-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.31
Rot. Bonds5

About N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide

N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide (PubChem CID 121167780) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-phenylmethoxypyrimidine-4-carboxamide
PubChem CID121167780
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-phenyl-6-phenylmethoxypyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C18H15N3O2/c22-18(21-15-9-5-2-6-10-15)16-11-17(20-13-19-16)23-12-14-7-3-1-4-8-14/h1-11,13H,12H2,(H,21,22)
InChIKeyBSYBTAONSFHIDV-UHFFFAOYSA-N
XLogP3.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide?
The IUPAC name of N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide (CID 121167780) is N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1cc(OCc2ccccc2)ncn1.
What is the InChIKey of N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide?
The InChIKey is BSYBTAONSFHIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18(21-15-9-5-2-6-10-15)16-11-17(20-13-19-16)23-12-14-7-3-1-4-8-14/h1-11,13H,12H2,(H,21,22).
What are the key properties of N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide?
N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-phenylmethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).