2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide

C14H11N5O — CID 118961864

IUPAC2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N)nc1-c1cnc2ccccc2c1
InChIInChI=1S/C14H11N5O/c15-13(20)10-7-18-14(16)19-12(10)9-5-8-3-1-2-4-11(8)17-6-9/h1-7H,(H2,15,20)(H2,16,18,19)
InChIKeyKSJPZHSXJOBKOU-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide

2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide (PubChem CID 118961864) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide
PubChem CID118961864
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N)nc1-c1cnc2ccccc2c1
InChIInChI=1S/C14H11N5O/c15-13(20)10-7-18-14(16)19-12(10)9-5-8-3-1-2-4-11(8)17-6-9/h1-7H,(H2,15,20)(H2,16,18,19)
InChIKeyKSJPZHSXJOBKOU-UHFFFAOYSA-N
XLogP1.37
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide (CID 118961864) is 2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide is NC(=O)c1cnc(N)nc1-c1cnc2ccccc2c1.
What is the InChIKey of 2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide?
The InChIKey is KSJPZHSXJOBKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c15-13(20)10-7-18-14(16)19-12(10)9-5-8-3-1-2-4-11(8)17-6-9/h1-7H,(H2,15,20)(H2,16,18,19).
What are the key properties of 2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide?
2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 118961864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).