1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine

C15H21N3 — CID 174879498

IUPAC1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine
SMILESCCC(N)[C@@H]1N=c2cccc(C)c2=CN1C1CC1
InChIInChI=1S/C15H21N3/c1-3-13(16)15-17-14-6-4-5-10(2)12(14)9-18(15)11-7-8-11/h4-6,9,11,13,15H,3,7-8,16H2,1-2H3/t13?,15-/m1/s1
InChIKeyPBFSVURZLFQXFX-AWKYBWMHSA-N
MW243.35 g/mol
LogP0.89
Rot. Bonds3

About 1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine

1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine (PubChem CID 174879498) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine
PubChem CID174879498
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine
SMILESCCC(N)[C@@H]1N=c2cccc(C)c2=CN1C1CC1
InChIInChI=1S/C15H21N3/c1-3-13(16)15-17-14-6-4-5-10(2)12(14)9-18(15)11-7-8-11/h4-6,9,11,13,15H,3,7-8,16H2,1-2H3/t13?,15-/m1/s1
InChIKeyPBFSVURZLFQXFX-AWKYBWMHSA-N
XLogP0.89
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine?
The IUPAC name of 1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine (CID 174879498) is 1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine.
What is the SMILES notation for 1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine?
The canonical SMILES for 1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine is CCC(N)[C@@H]1N=c2cccc(C)c2=CN1C1CC1.
What is the InChIKey of 1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine?
The InChIKey is PBFSVURZLFQXFX-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-13(16)15-17-14-6-4-5-10(2)12(14)9-18(15)11-7-8-11/h4-6,9,11,13,15H,3,7-8,16H2,1-2H3/t13?,15-/m1/s1.
What are the key properties of 1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine?
1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-cyclopropyl-5-methyl-2H-quinazolin-2-yl]propan-1-amine is sourced from PubChem (CID 174879498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).