4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine

C14H15N5 — CID 82374888

IUPAC4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N)c(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C14H15N5/c1-8(2)14-16-7-10(15)13(17-14)12-9-5-3-4-6-11(9)18-19-12/h3-8H,15H2,1-2H3,(H,18,19)
InChIKeyQBZGBRPBUSJNGN-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.73
Rot. Bonds2

About 4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine

4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 82374888) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID82374888
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N)c(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C14H15N5/c1-8(2)14-16-7-10(15)13(17-14)12-9-5-3-4-6-11(9)18-19-12/h3-8H,15H2,1-2H3,(H,18,19)
InChIKeyQBZGBRPBUSJNGN-UHFFFAOYSA-N
XLogP2.73
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine (CID 82374888) is 4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine is CC(C)c1ncc(N)c(-c2n[nH]c3ccccc23)n1.
What is the InChIKey of 4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is QBZGBRPBUSJNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-8(2)14-16-7-10(15)13(17-14)12-9-5-3-4-6-11(9)18-19-12/h3-8H,15H2,1-2H3,(H,18,19).
What are the key properties of 4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine?
4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 253.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 82374888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).