6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine

C16H16N4 — CID 21002595

IUPAC6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
SMILESCCc1ccc2ncnc(NCc3ccncc3)c2c1
InChIInChI=1S/C16H16N4/c1-2-12-3-4-15-14(9-12)16(20-11-19-15)18-10-13-5-7-17-8-6-13/h3-9,11H,2,10H2,1H3,(H,18,19,20)
InChIKeyLXYQPDZNQKSFFA-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.20
Rot. Bonds4

About 6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine

6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine (PubChem CID 21002595) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
PubChem CID21002595
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
SMILESCCc1ccc2ncnc(NCc3ccncc3)c2c1
InChIInChI=1S/C16H16N4/c1-2-12-3-4-15-14(9-12)16(20-11-19-15)18-10-13-5-7-17-8-6-13/h3-9,11H,2,10H2,1H3,(H,18,19,20)
InChIKeyLXYQPDZNQKSFFA-UHFFFAOYSA-N
XLogP3.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
2-[2-[(6-ethylquinazolin-4-yl)amino]ethoxy]ethanol
CID 21002673
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
N-cyclohexyl-6-ethylquinazolin-4-amine
CID 21002570
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 70854816
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 21002676
3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione
CID 21002721
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile
CID 71538885

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine (CID 21002595) is 6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine is CCc1ccc2ncnc(NCc3ccncc3)c2c1.
What is the InChIKey of 6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The InChIKey is LXYQPDZNQKSFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-12-3-4-15-14(9-12)16(20-11-19-15)18-10-13-5-7-17-8-6-13/h3-9,11H,2,10H2,1H3,(H,18,19,20).
What are the key properties of 6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 21002595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).