2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C14H18N4O2 — CID 155782338

IUPAC2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(CCC2CNc3nc(N)[nH]c(=O)c3C2)o1
InChIInChI=1S/C14H18N4O2/c1-8-2-4-10(20-8)5-3-9-6-11-12(16-7-9)17-14(15)18-13(11)19/h2,4,9H,3,5-7H2,1H3,(H4,15,16,17,18,19)
InChIKeyGIQBQFPVCNYPIT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 155782338) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID155782338
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(CCC2CNc3nc(N)[nH]c(=O)c3C2)o1
InChIInChI=1S/C14H18N4O2/c1-8-2-4-10(20-8)5-3-9-6-11-12(16-7-9)17-14(15)18-13(11)19/h2,4,9H,3,5-7H2,1H3,(H4,15,16,17,18,19)
InChIKeyGIQBQFPVCNYPIT-UHFFFAOYSA-N
XLogP1.47
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 155782338) is 2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1ccc(CCC2CNc3nc(N)[nH]c(=O)c3C2)o1.
What is the InChIKey of 2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is GIQBQFPVCNYPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-2-4-10(20-8)5-3-9-6-11-12(16-7-9)17-14(15)18-13(11)19/h2,4,9H,3,5-7H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 274.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 155782338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).