7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C15H24N4O2 — CID 128999652

IUPAC7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCCC(C(=O)N1CCc2c(ncn(C)c2=O)C1)N(C)C
InChIInChI=1S/C15H24N4O2/c1-5-6-13(17(2)3)15(21)19-8-7-11-12(9-19)16-10-18(4)14(11)20/h10,13H,5-9H2,1-4H3
InChIKeyXVLVANWXQFGLCF-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.40
Rot. Bonds4

About 7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 128999652) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID128999652
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCCC(C(=O)N1CCc2c(ncn(C)c2=O)C1)N(C)C
InChIInChI=1S/C15H24N4O2/c1-5-6-13(17(2)3)15(21)19-8-7-11-12(9-19)16-10-18(4)14(11)20/h10,13H,5-9H2,1-4H3
InChIKeyXVLVANWXQFGLCF-UHFFFAOYSA-N
XLogP0.40
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 128999652) is 7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCCC(C(=O)N1CCc2c(ncn(C)c2=O)C1)N(C)C.
What is the InChIKey of 7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XVLVANWXQFGLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-6-13(17(2)3)15(21)19-8-7-11-12(9-19)16-10-18(4)14(11)20/h10,13H,5-9H2,1-4H3.
What are the key properties of 7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 292.38 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 128999652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).