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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Related Compounds

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
R121919
CID 9821250
(R)-Zinc-3573
CID 95882507
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
Unc569
CID 53355503
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128

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).