2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide

C21H23N5O — CID 144679215

IUPAC2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C21H23N5O/c1-3-11-26(4-2)20(27)18-8-6-5-7-17(18)15-9-10-19(23-12-15)16-13-24-21(22)25-14-16/h5-10,12-14H,3-4,11H2,1-2H3,(H2,22,24,25)
InChIKeyRELPCFRAGRELJV-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.66
Rot. Bonds6

About 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide

2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide (PubChem CID 144679215) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide.

Molecular Properties

Compound Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide
PubChem CID144679215
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C21H23N5O/c1-3-11-26(4-2)20(27)18-8-6-5-7-17(18)15-9-10-19(23-12-15)16-13-24-21(22)25-14-16/h5-10,12-14H,3-4,11H2,1-2H3,(H2,22,24,25)
InChIKeyRELPCFRAGRELJV-UHFFFAOYSA-N
XLogP3.66
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide?
The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide (CID 144679215) is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide.
What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide?
The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide is CCCN(CC)C(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1.
What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide?
The InChIKey is RELPCFRAGRELJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-11-26(4-2)20(27)18-8-6-5-7-17(18)15-9-10-19(23-12-15)16-13-24-21(22)25-14-16/h5-10,12-14H,3-4,11H2,1-2H3,(H2,22,24,25).
What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide?
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethyl-N-propylbenzamide is sourced from PubChem (CID 144679215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).