2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one

C16H24N4O4 — CID 23401516

IUPAC2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1cc2cnc(NC(CCOC)CCOC)nc2[nH]c1=O
InChIInChI=1S/C16H24N4O4/c1-4-24-13-9-11-10-17-16(20-14(11)19-15(13)21)18-12(5-7-22-2)6-8-23-3/h9-10,12H,4-8H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyHYOUZWOQEAYOLB-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.57
Rot. Bonds10

About 2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one

2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23401516) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID23401516
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1cc2cnc(NC(CCOC)CCOC)nc2[nH]c1=O
InChIInChI=1S/C16H24N4O4/c1-4-24-13-9-11-10-17-16(20-14(11)19-15(13)21)18-12(5-7-22-2)6-8-23-3/h9-10,12H,4-8H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyHYOUZWOQEAYOLB-UHFFFAOYSA-N
XLogP1.57
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one (CID 23401516) is 2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one is CCOc1cc2cnc(NC(CCOC)CCOC)nc2[nH]c1=O.
What is the InChIKey of 2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HYOUZWOQEAYOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-4-24-13-9-11-10-17-16(20-14(11)19-15(13)21)18-12(5-7-22-2)6-8-23-3/h9-10,12H,4-8H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one?
2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 336.39 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23401516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).