4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide

C18H16N4O — CID 90082540

IUPAC4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)nc(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H16N4O/c19-17-15(18(20)23)16(13-9-5-2-6-10-13)21-14(22-17)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,20,23)(H2,19,21,22)
InChIKeyXIKLYCVLFAEBKW-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.42
Rot. Bonds4

About 4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide

4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide (PubChem CID 90082540) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide
PubChem CID90082540
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)nc(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H16N4O/c19-17-15(18(20)23)16(13-9-5-2-6-10-13)21-14(22-17)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,20,23)(H2,19,21,22)
InChIKeyXIKLYCVLFAEBKW-UHFFFAOYSA-N
XLogP2.42
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide (CID 90082540) is 4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide is NC(=O)c1c(N)nc(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide?
The InChIKey is XIKLYCVLFAEBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-17-15(18(20)23)16(13-9-5-2-6-10-13)21-14(22-17)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,20,23)(H2,19,21,22).
What are the key properties of 4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide?
4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 90082540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).