2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine

C16H17N5 — CID 80989377

IUPAC2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(-n2ncc3ccccc32)c1C
InChIInChI=1S/C16H17N5/c1-10-14(17-2)19-15(11-7-8-11)20-16(10)21-13-6-4-3-5-12(13)9-18-21/h3-6,9,11H,7-8H2,1-2H3,(H,17,19,20)
InChIKeyCGJYJVYFBKOASY-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.04
Rot. Bonds3

About 2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine

2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80989377) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine
PubChem CID80989377
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(-n2ncc3ccccc32)c1C
InChIInChI=1S/C16H17N5/c1-10-14(17-2)19-15(11-7-8-11)20-16(10)21-13-6-4-3-5-12(13)9-18-21/h3-6,9,11H,7-8H2,1-2H3,(H,17,19,20)
InChIKeyCGJYJVYFBKOASY-UHFFFAOYSA-N
XLogP3.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine (CID 80989377) is 2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(-n2ncc3ccccc32)c1C.
What is the InChIKey of 2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is CGJYJVYFBKOASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-10-14(17-2)19-15(11-7-8-11)20-16(10)21-13-6-4-3-5-12(13)9-18-21/h3-6,9,11H,7-8H2,1-2H3,(H,17,19,20).
What are the key properties of 2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80989377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).