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

C17H14N4O2 — CID 69092284

IUPAC2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide
SMILESNC(=O)c1c(Oc2ccccc2)nc(N)nc1-c1ccccc1
InChIInChI=1S/C17H14N4O2/c18-15(22)13-14(11-7-3-1-4-8-11)20-17(19)21-16(13)23-12-9-5-2-6-10-12/h1-10H,(H2,18,22)(H2,19,20,21)
InChIKeyKAKMIMZRSASUFR-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.62
Rot. Bonds4

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

2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide (PubChem CID 69092284) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide
PubChem CID69092284
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide
SMILESNC(=O)c1c(Oc2ccccc2)nc(N)nc1-c1ccccc1
InChIInChI=1S/C17H14N4O2/c18-15(22)13-14(11-7-3-1-4-8-11)20-17(19)21-16(13)23-12-9-5-2-6-10-12/h1-10H,(H2,18,22)(H2,19,20,21)
InChIKeyKAKMIMZRSASUFR-UHFFFAOYSA-N
XLogP2.62
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide (CID 69092284) is 2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide is NC(=O)c1c(Oc2ccccc2)nc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide?
The InChIKey is KAKMIMZRSASUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-15(22)13-14(11-7-3-1-4-8-11)20-17(19)21-16(13)23-12-9-5-2-6-10-12/h1-10H,(H2,18,22)(H2,19,20,21).
What are the key properties of 2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide?
2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 69092284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).