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

C12H16N4O — CID 5330201

IUPAC8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(NC(C)C)nc21
InChIInChI=1S/C12H16N4O/c1-4-16-10(17)6-5-9-7-13-12(14-8(2)3)15-11(9)16/h5-8H,4H2,1-3H3,(H,13,14,15)
InChIKeyVEFZKTGTIAMKDL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.63
Rot. Bonds3

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

8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330201) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330201
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(NC(C)C)nc21
InChIInChI=1S/C12H16N4O/c1-4-16-10(17)6-5-9-7-13-12(14-8(2)3)15-11(9)16/h5-8H,4H2,1-3H3,(H,13,14,15)
InChIKeyVEFZKTGTIAMKDL-UHFFFAOYSA-N
XLogP1.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5330201) is 8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(NC(C)C)nc21.
What is the InChIKey of 8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VEFZKTGTIAMKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-16-10(17)6-5-9-7-13-12(14-8(2)3)15-11(9)16/h5-8H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 232.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).