4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine

C16H20N4 — CID 107846044

IUPAC4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine
SMILESNc1ccc2c(NCCC3=CCCCC3)ncnc2c1
InChIInChI=1S/C16H20N4/c17-13-6-7-14-15(10-13)19-11-20-16(14)18-9-8-12-4-2-1-3-5-12/h4,6-7,10-11H,1-3,5,8-9,17H2,(H,18,19,20)
InChIKeyYUSQVLBENPBFPG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.51
Rot. Bonds4

About 4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine

4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine (PubChem CID 107846044) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine
PubChem CID107846044
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine
SMILESNc1ccc2c(NCCC3=CCCCC3)ncnc2c1
InChIInChI=1S/C16H20N4/c17-13-6-7-14-15(10-13)19-11-20-16(14)18-9-8-12-4-2-1-3-5-12/h4,6-7,10-11H,1-3,5,8-9,17H2,(H,18,19,20)
InChIKeyYUSQVLBENPBFPG-UHFFFAOYSA-N
XLogP3.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103
4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
CID 65336790
4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine
CID 65337256
N-[2-(cyclohexen-1-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 4525988
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
CID 106036940
4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine
CID 107846198
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143608
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
dimethyl 5-[[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547619

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine (CID 107846044) is 4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine is Nc1ccc2c(NCCC3=CCCCC3)ncnc2c1.
What is the InChIKey of 4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine?
The InChIKey is YUSQVLBENPBFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-13-6-7-14-15(10-13)19-11-20-16(14)18-9-8-12-4-2-1-3-5-12/h4,6-7,10-11H,1-3,5,8-9,17H2,(H,18,19,20).
What are the key properties of 4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine?
4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine is sourced from PubChem (CID 107846044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).