2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C16H23N5O — CID 71129507

IUPAC2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc2c(C)nc(N)nc2n(CCN2CCCCC2)c1=O
InChIInChI=1S/C16H23N5O/c1-11-10-13-12(2)18-16(17)19-14(13)21(15(11)22)9-8-20-6-4-3-5-7-20/h10H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyNHKMOHURMYXPEQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71129507) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID71129507
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc2c(C)nc(N)nc2n(CCN2CCCCC2)c1=O
InChIInChI=1S/C16H23N5O/c1-11-10-13-12(2)18-16(17)19-14(13)21(15(11)22)9-8-20-6-4-3-5-7-20/h10H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyNHKMOHURMYXPEQ-UHFFFAOYSA-N
XLogP1.48
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 71129507) is 2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc2c(C)nc(N)nc2n(CCN2CCCCC2)c1=O.
What is the InChIKey of 2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NHKMOHURMYXPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-10-13-12(2)18-16(17)19-14(13)21(15(11)22)9-8-20-6-4-3-5-7-20/h10H,3-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 301.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71129507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).