8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one

C14H18N4O2 — CID 121016478

IUPAC8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCOCCn1c(=O)ccc2c(N3CCCC3)ncnc21
InChIInChI=1S/C14H18N4O2/c1-20-9-8-18-12(19)5-4-11-13(15-10-16-14(11)18)17-6-2-3-7-17/h4-5,10H,2-3,6-9H2,1H3
InChIKeyTWVSPDPEBIIUKI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.04
Rot. Bonds4

About 8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one

8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 121016478) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID121016478
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCOCCn1c(=O)ccc2c(N3CCCC3)ncnc21
InChIInChI=1S/C14H18N4O2/c1-20-9-8-18-12(19)5-4-11-13(15-10-16-14(11)18)17-6-2-3-7-17/h4-5,10H,2-3,6-9H2,1H3
InChIKeyTWVSPDPEBIIUKI-UHFFFAOYSA-N
XLogP1.04
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one (CID 121016478) is 8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one is COCCn1c(=O)ccc2c(N3CCCC3)ncnc21.
What is the InChIKey of 8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TWVSPDPEBIIUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-9-8-18-12(19)5-4-11-13(15-10-16-14(11)18)17-6-2-3-7-17/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 274.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 121016478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).