8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one

C11H14N4O — CID 5330200

IUPAC8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2ccc(=O)n(CC)c2n1
InChIInChI=1S/C11H14N4O/c1-3-12-11-13-7-8-5-6-9(16)15(4-2)10(8)14-11/h5-7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyPZIGHMJLTJTNDH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.24
Rot. Bonds3

About 8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330200) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330200
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2ccc(=O)n(CC)c2n1
InChIInChI=1S/C11H14N4O/c1-3-12-11-13-7-8-5-6-9(16)15(4-2)10(8)14-11/h5-7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyPZIGHMJLTJTNDH-UHFFFAOYSA-N
XLogP1.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
1-Ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
CID 118146747
1-[4-[(8-Methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
CID 118146764
2-[[1-(2-Methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146819
2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide
CID 118146870
N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
CID 118146871

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5330200) is 8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one is CCNc1ncc2ccc(=O)n(CC)c2n1.
What is the InChIKey of 8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PZIGHMJLTJTNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-12-11-13-7-8-5-6-9(16)15(4-2)10(8)14-11/h5-7H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 218.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).