6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C15H18N6O2 — CID 136537393

IUPAC6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(C)Oc1cc(CNc2nc3[nH]ncc3c(=O)[nH]2)ccn1
InChIInChI=1S/C15H18N6O2/c1-3-9(2)23-12-6-10(4-5-16-12)7-17-15-19-13-11(8-18-21-13)14(22)20-15/h4-6,8-9H,3,7H2,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyNTTOEPGCKXOYMO-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.83
Rot. Bonds6

About 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136537393) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136537393
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(C)Oc1cc(CNc2nc3[nH]ncc3c(=O)[nH]2)ccn1
InChIInChI=1S/C15H18N6O2/c1-3-9(2)23-12-6-10(4-5-16-12)7-17-15-19-13-11(8-18-21-13)14(22)20-15/h4-6,8-9H,3,7H2,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyNTTOEPGCKXOYMO-UHFFFAOYSA-N
XLogP1.83
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 136537393) is 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CCC(C)Oc1cc(CNc2nc3[nH]ncc3c(=O)[nH]2)ccn1.
What is the InChIKey of 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NTTOEPGCKXOYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-3-9(2)23-12-6-10(4-5-16-12)7-17-15-19-13-11(8-18-21-13)14(22)20-15/h4-6,8-9H,3,7H2,1-2H3,(H3,17,18,19,20,21,22).
What are the key properties of 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 314.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136537393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).