6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine

C15H16N4 — CID 56717582

IUPAC6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(-c2cccc3[nH]ccc23)ncn1
InChIInChI=1S/C15H16N4/c1-10(2)19-15-8-14(17-9-18-15)11-4-3-5-13-12(11)6-7-16-13/h3-10,16H,1-2H3,(H,17,18,19)
InChIKeyXKXDUSFWCNNEQE-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.45
Rot. Bonds3

About 6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine

6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine (PubChem CID 56717582) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine
PubChem CID56717582
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(-c2cccc3[nH]ccc23)ncn1
InChIInChI=1S/C15H16N4/c1-10(2)19-15-8-14(17-9-18-15)11-4-3-5-13-12(11)6-7-16-13/h3-10,16H,1-2H3,(H,17,18,19)
InChIKeyXKXDUSFWCNNEQE-UHFFFAOYSA-N
XLogP3.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine (CID 56717582) is 6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1cc(-c2cccc3[nH]ccc23)ncn1.
What is the InChIKey of 6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is XKXDUSFWCNNEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10(2)19-15-8-14(17-9-18-15)11-4-3-5-13-12(11)6-7-16-13/h3-10,16H,1-2H3,(H,17,18,19).
What are the key properties of 6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine?
6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56717582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).