[1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine

C14H18N4 — CID 82386767

IUPAC[1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine
SMILESCc1ncc2c(N3CCCC3CN)cccc2n1
InChIInChI=1S/C14H18N4/c1-10-16-9-12-13(17-10)5-2-6-14(12)18-7-3-4-11(18)8-15/h2,5-6,9,11H,3-4,7-8,15H2,1H3
InChIKeyMRULAXCSUPPGHS-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.87
Rot. Bonds2

About [1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine

[1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine (PubChem CID 82386767) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is [1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine
PubChem CID82386767
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name[1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine
SMILESCc1ncc2c(N3CCCC3CN)cccc2n1
InChIInChI=1S/C14H18N4/c1-10-16-9-12-13(17-10)5-2-6-14(12)18-7-3-4-11(18)8-15/h2,5-6,9,11H,3-4,7-8,15H2,1H3
InChIKeyMRULAXCSUPPGHS-UHFFFAOYSA-N
XLogP1.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
[1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine
CID 168988327
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 62592985
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 55184612
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 62593155
[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 71644668
[1-(1-methylindol-7-yl)piperidin-2-yl]methanamine
CID 82386099
2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine
CID 63767577
[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 23369489
[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine
CID 113284583

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine (CID 82386767) is [1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine is Cc1ncc2c(N3CCCC3CN)cccc2n1.
What is the InChIKey of [1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is MRULAXCSUPPGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-16-9-12-13(17-10)5-2-6-14(12)18-7-3-4-11(18)8-15/h2,5-6,9,11H,3-4,7-8,15H2,1H3.
What are the key properties of [1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine?
[1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 242.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 82386767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).