4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

C10H13N3O — CID 83847144

IUPAC4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESO=c1nc(C2CC2)c2c([nH]1)CNCC2
InChIInChI=1S/C10H13N3O/c14-10-12-8-5-11-4-3-7(8)9(13-10)6-1-2-6/h6,11H,1-5H2,(H,12,13,14)
InChIKeyNAHQYSSLEMFXSA-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.29
Rot. Bonds1

About 4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 83847144) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID83847144
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESO=c1nc(C2CC2)c2c([nH]1)CNCC2
InChIInChI=1S/C10H13N3O/c14-10-12-8-5-11-4-3-7(8)9(13-10)6-1-2-6/h6,11H,1-5H2,(H,12,13,14)
InChIKeyNAHQYSSLEMFXSA-UHFFFAOYSA-N
XLogP0.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (CID 83847144) is 4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is O=c1nc(C2CC2)c2c([nH]1)CNCC2.
What is the InChIKey of 4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is NAHQYSSLEMFXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10-12-8-5-11-4-3-7(8)9(13-10)6-1-2-6/h6,11H,1-5H2,(H,12,13,14).
What are the key properties of 4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83847144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).