1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine

C12H14N4 — CID 114389245

IUPAC1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2-c1ncccn1
InChIInChI=1S/C12H14N4/c13-10-3-1-4-11-9(10)5-8-16(11)12-14-6-2-7-15-12/h2,5-8,10H,1,3-4,13H2
InChIKeyWXSFYDCCROFREY-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.60
Rot. Bonds1

About 1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine

1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 114389245) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine
PubChem CID114389245
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2-c1ncccn1
InChIInChI=1S/C12H14N4/c13-10-3-1-4-11-9(10)5-8-16(11)12-14-6-2-7-15-12/h2,5-8,10H,1,3-4,13H2
InChIKeyWXSFYDCCROFREY-UHFFFAOYSA-N
XLogP1.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine (CID 114389245) is 1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine is NC1CCCc2c1ccn2-c1ncccn1.
What is the InChIKey of 1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is WXSFYDCCROFREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-10-3-1-4-11-9(10)5-8-16(11)12-14-6-2-7-15-12/h2,5-8,10H,1,3-4,13H2.
What are the key properties of 1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine?
1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 214.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 114389245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).