6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine

C15H17N5 — CID 164521115

IUPAC6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine
SMILESCC(C)c1c2cc(-c3cc(N)ncn3)ccc2nn1C
InChIInChI=1S/C15H17N5/c1-9(2)15-11-6-10(4-5-12(11)19-20(15)3)13-7-14(16)18-8-17-13/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyBDZUUXZNPFLXIX-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.74
Rot. Bonds2

About 6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine

6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine (PubChem CID 164521115) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine
PubChem CID164521115
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine
SMILESCC(C)c1c2cc(-c3cc(N)ncn3)ccc2nn1C
InChIInChI=1S/C15H17N5/c1-9(2)15-11-6-10(4-5-12(11)19-20(15)3)13-7-14(16)18-8-17-13/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyBDZUUXZNPFLXIX-UHFFFAOYSA-N
XLogP2.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine (CID 164521115) is 6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine is CC(C)c1c2cc(-c3cc(N)ncn3)ccc2nn1C.
What is the InChIKey of 6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine?
The InChIKey is BDZUUXZNPFLXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-9(2)15-11-6-10(4-5-12(11)19-20(15)3)13-7-14(16)18-8-17-13/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of 6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine?
6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 164521115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).