4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine

C16H17N5 — CID 64587906

IUPAC4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine
SMILESCCN(Cc1ccncc1)c1ncnc2ccc(N)cc12
InChIInChI=1S/C16H17N5/c1-2-21(10-12-5-7-18-8-6-12)16-14-9-13(17)3-4-15(14)19-11-20-16/h3-9,11H,2,10,17H2,1H3
InChIKeyKIVJUGYWUYJDCL-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.63
Rot. Bonds4

About 4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine

4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine (PubChem CID 64587906) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine
PubChem CID64587906
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine
SMILESCCN(Cc1ccncc1)c1ncnc2ccc(N)cc12
InChIInChI=1S/C16H17N5/c1-2-21(10-12-5-7-18-8-6-12)16-14-9-13(17)3-4-15(14)19-11-20-16/h3-9,11H,2,10,17H2,1H3
InChIKeyKIVJUGYWUYJDCL-UHFFFAOYSA-N
XLogP2.63
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807
2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 64588093
N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 21002797
2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,5-diamine
CID 62476714
4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
CID 64587901
6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171691676
2-N-ethyl-2-N-(pyridin-4-ylmethyl)pyrazine-2,5-diamine
CID 80653271
2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 64589896
4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine
CID 64588086
4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine
CID 64587916
N-ethyl-6-hydrazinyl-5-propyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80900573
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 54948605

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine (CID 64587906) is 4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine is CCN(Cc1ccncc1)c1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine?
The InChIKey is KIVJUGYWUYJDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-21(10-12-5-7-18-8-6-12)16-14-9-13(17)3-4-15(14)19-11-20-16/h3-9,11H,2,10,17H2,1H3.
What are the key properties of 4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine?
4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine has a molecular weight of 279.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine is sourced from PubChem (CID 64587906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).