2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C15H21N5O — CID 122178090

IUPAC2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCNCC3)nc21
InChIInChI=1S/C15H21N5O/c1-10(2)20-13(21)4-3-11-9-17-15(19-14(11)20)18-12-5-7-16-8-6-12/h3-4,9-10,12,16H,5-8H2,1-2H3,(H,17,18,19)
InChIKeyHYQSBBALXSYEMH-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.54
Rot. Bonds3

About 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 122178090) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID122178090
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCNCC3)nc21
InChIInChI=1S/C15H21N5O/c1-10(2)20-13(21)4-3-11-9-17-15(19-14(11)20)18-12-5-7-16-8-6-12/h3-4,9-10,12,16H,5-8H2,1-2H3,(H,17,18,19)
InChIKeyHYQSBBALXSYEMH-UHFFFAOYSA-N
XLogP1.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-{trans-4-[(8-Cyclopentyl-7-Oxo-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl)amino]cyclohexyl}-3-Propan-2-Ylurea
CID 91754589
1-(Trans-4-{[7-Oxo-8-(Propan-2-Yl)-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl]amino}cyclohexyl)-3-Propan-2-Ylurea
CID 91754590
US10233188, Example 1
CID 134247531
US10233188, Example 21
CID 134247563
US10233188, Example 135
CID 134247622
US10233188, Example 19
CID 134253053
US10233188, Example 22
CID 134253054
US10233188, Example 29
CID 134253056
US10233188, Example 36
CID 134253062
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16
CID 5330202
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 17
CID 5330203

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 122178090) is 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2cnc(NC3CCNCC3)nc21.
What is the InChIKey of 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HYQSBBALXSYEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)20-13(21)4-3-11-9-17-15(19-14(11)20)18-12-5-7-16-8-6-12/h3-4,9-10,12,16H,5-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 287.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 122178090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).