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

C18H27N5O — CID 137384116

IUPAC2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(C)c(=O)n(CCN3CCCCC3)c2n1
InChIInChI=1S/C18H27N5O/c1-4-19-18-20-14(3)15-12-13(2)17(24)23(16(15)21-18)11-10-22-8-6-5-7-9-22/h12H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyHITXKAWJFCVWTM-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.33
Rot. Bonds5

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

2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 137384116) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID137384116
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(C)c(=O)n(CCN3CCCCC3)c2n1
InChIInChI=1S/C18H27N5O/c1-4-19-18-20-14(3)15-12-13(2)17(24)23(16(15)21-18)11-10-22-8-6-5-7-9-22/h12H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyHITXKAWJFCVWTM-UHFFFAOYSA-N
XLogP2.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 137384116) is 2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(C)c(=O)n(CCN3CCCCC3)c2n1.
What is the InChIKey of 2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HITXKAWJFCVWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-19-18-20-14(3)15-12-13(2)17(24)23(16(15)21-18)11-10-22-8-6-5-7-9-22/h12H,4-11H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 329.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4,6-dimethyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 137384116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).