(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine

C14H16N4 — CID 81425975

IUPAC(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
SMILESNCC1CCc2nc(-c3ccncc3)ncc2C1
InChIInChI=1S/C14H16N4/c15-8-10-1-2-13-12(7-10)9-17-14(18-13)11-3-5-16-6-4-11/h3-6,9-10H,1-2,7-8,15H2
InChIKeyTZUDQLIBKQKIMG-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.60
Rot. Bonds2

About (2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine

(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine (PubChem CID 81425975) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is (2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine.

Molecular Properties

Compound Name(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
PubChem CID81425975
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
SMILESNCC1CCc2nc(-c3ccncc3)ncc2C1
InChIInChI=1S/C14H16N4/c15-8-10-1-2-13-12(7-10)9-17-14(18-13)11-3-5-16-6-4-11/h3-6,9-10H,1-2,7-8,15H2
InChIKeyTZUDQLIBKQKIMG-UHFFFAOYSA-N
XLogP1.60
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The IUPAC name of (2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine (CID 81425975) is (2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine.
What is the SMILES notation for (2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The canonical SMILES for (2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine is NCC1CCc2nc(-c3ccncc3)ncc2C1.
What is the InChIKey of (2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The InChIKey is TZUDQLIBKQKIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-8-10-1-2-13-12(7-10)9-17-14(18-13)11-3-5-16-6-4-11/h3-6,9-10H,1-2,7-8,15H2.
What are the key properties of (2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine has a molecular weight of 240.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine is sourced from PubChem (CID 81425975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).