(1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine

C10H13N3 — CID 95396435

IUPAC(1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine
SMILESC[C@H](N)C1=NCc2ccccc2N1
InChIInChI=1S/C10H13N3/c1-7(11)10-12-6-8-4-2-3-5-9(8)13-10/h2-5,7H,6,11H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyGIMMXJVVWMBWRY-ZETCQYMHSA-N
MW175.24 g/mol
LogP1.36
Rot. Bonds1

About (1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine

(1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine (PubChem CID 95396435) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is (1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine
PubChem CID95396435
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name(1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine
SMILESC[C@H](N)C1=NCc2ccccc2N1
InChIInChI=1S/C10H13N3/c1-7(11)10-12-6-8-4-2-3-5-9(8)13-10/h2-5,7H,6,11H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyGIMMXJVVWMBWRY-ZETCQYMHSA-N
XLogP1.36
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine?
The IUPAC name of (1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine (CID 95396435) is (1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine is C[C@H](N)C1=NCc2ccccc2N1.
What is the InChIKey of (1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine?
The InChIKey is GIMMXJVVWMBWRY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3/c1-7(11)10-12-6-8-4-2-3-5-9(8)13-10/h2-5,7H,6,11H2,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine?
(1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine has a molecular weight of 175.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine is sourced from PubChem (CID 95396435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).