2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one

C13H18N4O — CID 5330202

IUPAC2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(NC(C)(C)C)nc21
InChIInChI=1S/C13H18N4O/c1-5-17-10(18)7-6-9-8-14-12(15-11(9)17)16-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,16)
InChIKeyQUHNSFFOKVRSKA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.02
Rot. Bonds2

About 2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one

2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330202) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330202
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(NC(C)(C)C)nc21
InChIInChI=1S/C13H18N4O/c1-5-17-10(18)7-6-9-8-14-12(15-11(9)17)16-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,16)
InChIKeyQUHNSFFOKVRSKA-UHFFFAOYSA-N
XLogP2.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 5330202) is 2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(NC(C)(C)C)nc21.
What is the InChIKey of 2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QUHNSFFOKVRSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-5-17-10(18)7-6-9-8-14-12(15-11(9)17)16-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 246.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).