2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one

C16H25N5O — CID 56802043

IUPAC2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCc3cncnc3C2)CC1
InChIInChI=1S/C16H25N5O/c1-3-19-6-8-20(9-7-19)16(22)13(2)21-5-4-14-10-17-12-18-15(14)11-21/h10,12-13H,3-9,11H2,1-2H3
InChIKeyXXZMGKMFSADUFL-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.39
Rot. Bonds3

About 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 56802043) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID56802043
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCc3cncnc3C2)CC1
InChIInChI=1S/C16H25N5O/c1-3-19-6-8-20(9-7-19)16(22)13(2)21-5-4-14-10-17-12-18-15(14)11-21/h10,12-13H,3-9,11H2,1-2H3
InChIKeyXXZMGKMFSADUFL-UHFFFAOYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 56802043) is 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)C(C)N2CCc3cncnc3C2)CC1.
What is the InChIKey of 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is XXZMGKMFSADUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-19-6-8-20(9-7-19)16(22)13(2)21-5-4-14-10-17-12-18-15(14)11-21/h10,12-13H,3-9,11H2,1-2H3.
What are the key properties of 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 303.41 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 56802043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).