4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine

C14H18N4O — CID 136841460

IUPAC4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine
SMILESNc1ccc2nn3c(c2c1)NCCC3C1CCOC1
InChIInChI=1S/C14H18N4O/c15-10-1-2-12-11(7-10)14-16-5-3-13(18(14)17-12)9-4-6-19-8-9/h1-2,7,9,13,16H,3-6,8,15H2
InChIKeySETOXAWAVPUSNY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.01
Rot. Bonds1

About 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine

4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine (PubChem CID 136841460) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine.

Molecular Properties

Compound Name4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine
PubChem CID136841460
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine
SMILESNc1ccc2nn3c(c2c1)NCCC3C1CCOC1
InChIInChI=1S/C14H18N4O/c15-10-1-2-12-11(7-10)14-16-5-3-13(18(14)17-12)9-4-6-19-8-9/h1-2,7,9,13,16H,3-6,8,15H2
InChIKeySETOXAWAVPUSNY-UHFFFAOYSA-N
XLogP2.01
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine?
The IUPAC name of 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine (CID 136841460) is 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine.
What is the SMILES notation for 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine?
The canonical SMILES for 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine is Nc1ccc2nn3c(c2c1)NCCC3C1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine?
The InChIKey is SETOXAWAVPUSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-1-2-12-11(7-10)14-16-5-3-13(18(14)17-12)9-4-6-19-8-9/h1-2,7,9,13,16H,3-6,8,15H2.
What are the key properties of 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine?
4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine has a molecular weight of 258.32 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine is sourced from PubChem (CID 136841460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).