6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine

C15H18N4 — CID 80945604

IUPAC6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C15H18N4/c1-2-5-14-17-13(16)10-15(18-14)19-9-8-11-6-3-4-7-12(11)19/h3-4,6-7,10H,2,5,8-9H2,1H3,(H2,16,17,18)
InChIKeyWZFXOYJNZYMCCV-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.71
Rot. Bonds3

About 6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine

6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine (PubChem CID 80945604) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
PubChem CID80945604
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C15H18N4/c1-2-5-14-17-13(16)10-15(18-14)19-9-8-11-6-3-4-7-12(11)19/h3-4,6-7,10H,2,5,8-9H2,1H3,(H2,16,17,18)
InChIKeyWZFXOYJNZYMCCV-UHFFFAOYSA-N
XLogP2.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine (CID 80945604) is 6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(N2CCc3ccccc32)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine?
The InChIKey is WZFXOYJNZYMCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-5-14-17-13(16)10-15(18-14)19-9-8-11-6-3-4-7-12(11)19/h3-4,6-7,10H,2,5,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine?
6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80945604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).