4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one

C20H32N4O — CID 22225290

IUPAC4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCC(CCC)n1c(=O)ccc2c(C)nc(NCC(C)C)nc21
InChIInChI=1S/C20H32N4O/c1-6-8-10-16(9-7-2)24-18(25)12-11-17-15(5)22-20(23-19(17)24)21-13-14(3)4/h11-12,14,16H,6-10,13H2,1-5H3,(H,21,22,23)
InChIKeyLSZATVGOYSOPKX-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.70
Rot. Bonds9

About 4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one

4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 22225290) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID22225290
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCC(CCC)n1c(=O)ccc2c(C)nc(NCC(C)C)nc21
InChIInChI=1S/C20H32N4O/c1-6-8-10-16(9-7-2)24-18(25)12-11-17-15(5)22-20(23-19(17)24)21-13-14(3)4/h11-12,14,16H,6-10,13H2,1-5H3,(H,21,22,23)
InChIKeyLSZATVGOYSOPKX-UHFFFAOYSA-N
XLogP4.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one (CID 22225290) is 4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one is CCCCC(CCC)n1c(=O)ccc2c(C)nc(NCC(C)C)nc21.
What is the InChIKey of 4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LSZATVGOYSOPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-6-8-10-16(9-7-2)24-18(25)12-11-17-15(5)22-20(23-19(17)24)21-13-14(3)4/h11-12,14,16H,6-10,13H2,1-5H3,(H,21,22,23).
What are the key properties of 4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one?
4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 344.50 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropylamino)-8-octan-4-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22225290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).