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

C20H33N5O — CID 171389200

IUPAC2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)c1nc(NCCC2CCCCN2C(C)C)c2c(n1)C(=O)NCC2
InChIInChI=1S/C20H33N5O/c1-13(2)18-23-17-16(9-11-22-20(17)26)19(24-18)21-10-8-15-7-5-6-12-25(15)14(3)4/h13-15H,5-12H2,1-4H3,(H,22,26)(H,21,23,24)
InChIKeyQIPMQCJLVYTKCS-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.95
Rot. Bonds6

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

2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171389200) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171389200
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)c1nc(NCCC2CCCCN2C(C)C)c2c(n1)C(=O)NCC2
InChIInChI=1S/C20H33N5O/c1-13(2)18-23-17-16(9-11-22-20(17)26)19(24-18)21-10-8-15-7-5-6-12-25(15)14(3)4/h13-15H,5-12H2,1-4H3,(H,22,26)(H,21,23,24)
InChIKeyQIPMQCJLVYTKCS-UHFFFAOYSA-N
XLogP2.95
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171389200) is 2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CC(C)c1nc(NCCC2CCCCN2C(C)C)c2c(n1)C(=O)NCC2.
What is the InChIKey of 2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is QIPMQCJLVYTKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-13(2)18-23-17-16(9-11-22-20(17)26)19(24-18)21-10-8-15-7-5-6-12-25(15)14(3)4/h13-15H,5-12H2,1-4H3,(H,22,26)(H,21,23,24).
What are the key properties of 2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 359.52 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171389200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).