2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C10H13N3O2 — CID 136765463

IUPAC2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESNC1(c2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C10H13N3O2/c11-10(2-3-10)9-12-7-1-4-15-5-6(7)8(14)13-9/h1-5,11H2,(H,12,13,14)
InChIKeyJEUJEMOBPPRNQI-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.21
Rot. Bonds1

About 2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136765463) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136765463
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESNC1(c2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C10H13N3O2/c11-10(2-3-10)9-12-7-1-4-15-5-6(7)8(14)13-9/h1-5,11H2,(H,12,13,14)
InChIKeyJEUJEMOBPPRNQI-UHFFFAOYSA-N
XLogP-0.21
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136765463) is 2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is NC1(c2nc3c(c(=O)[nH]2)COCC3)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is JEUJEMOBPPRNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10(2-3-10)9-12-7-1-4-15-5-6(7)8(14)13-9/h1-5,11H2,(H,12,13,14).
What are the key properties of 2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 207.23 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136765463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).