2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine

C12H18N4 — CID 86263335

IUPAC2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESNC1CCc2nc(N3CCCC3)ncc2C1
InChIInChI=1S/C12H18N4/c13-10-3-4-11-9(7-10)8-14-12(15-11)16-5-1-2-6-16/h8,10H,1-7,13H2
InChIKeyBDPZIHJGNSROTJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.89
Rot. Bonds1

About 2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine

2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine (PubChem CID 86263335) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine
PubChem CID86263335
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESNC1CCc2nc(N3CCCC3)ncc2C1
InChIInChI=1S/C12H18N4/c13-10-3-4-11-9(7-10)8-14-12(15-11)16-5-1-2-6-16/h8,10H,1-7,13H2
InChIKeyBDPZIHJGNSROTJ-UHFFFAOYSA-N
XLogP0.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine?
The IUPAC name of 2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine (CID 86263335) is 2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine is NC1CCc2nc(N3CCCC3)ncc2C1.
What is the InChIKey of 2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine?
The InChIKey is BDPZIHJGNSROTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-10-3-4-11-9(7-10)8-14-12(15-11)16-5-1-2-6-16/h8,10H,1-7,13H2.
What are the key properties of 2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine?
2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine has a molecular weight of 218.30 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine is sourced from PubChem (CID 86263335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).