2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine

C11H14N4 — CID 136841448

IUPAC2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine
SMILESCC1CCn2nc3ccc(N)cc3c2N1
InChIInChI=1S/C11H14N4/c1-7-4-5-15-11(13-7)9-6-8(12)2-3-10(9)14-15/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyGAMROZIROZRHAZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.82
Rot. Bonds

About 2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine

2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine (PubChem CID 136841448) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine.

Molecular Properties

Compound Name2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine
PubChem CID136841448
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine
SMILESCC1CCn2nc3ccc(N)cc3c2N1
InChIInChI=1S/C11H14N4/c1-7-4-5-15-11(13-7)9-6-8(12)2-3-10(9)14-15/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyGAMROZIROZRHAZ-UHFFFAOYSA-N
XLogP1.82
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine?
The IUPAC name of 2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine (CID 136841448) is 2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine.
What is the SMILES notation for 2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine?
The canonical SMILES for 2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine is CC1CCn2nc3ccc(N)cc3c2N1.
What is the InChIKey of 2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine?
The InChIKey is GAMROZIROZRHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-7-4-5-15-11(13-7)9-6-8(12)2-3-10(9)14-15/h2-3,6-7,13H,4-5,12H2,1H3.
What are the key properties of 2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine?
2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine has a molecular weight of 202.26 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine is sourced from PubChem (CID 136841448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).