2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

C13H17N5 — CID 66132789

IUPAC2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCn1cncc1-c1ncc2c(n1)CCCC2N
InChIInChI=1S/C13H17N5/c1-2-18-8-15-7-12(18)13-16-6-9-10(14)4-3-5-11(9)17-13/h6-8,10H,2-5,14H2,1H3
InChIKeyJDHIVVRZVGPCJE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.70
Rot. Bonds2

About 2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 66132789) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID66132789
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCn1cncc1-c1ncc2c(n1)CCCC2N
InChIInChI=1S/C13H17N5/c1-2-18-8-15-7-12(18)13-16-6-9-10(14)4-3-5-11(9)17-13/h6-8,10H,2-5,14H2,1H3
InChIKeyJDHIVVRZVGPCJE-UHFFFAOYSA-N
XLogP1.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008870
2-N,2-N-diethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 62008280
2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine
CID 107384968
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008871
2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384948
2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007715
2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 66139700
2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 64533818
2-(4-ethylmorpholin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 79669342
2-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384794
2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007896
2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008088

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 66132789) is 2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine is CCn1cncc1-c1ncc2c(n1)CCCC2N.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is JDHIVVRZVGPCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-18-8-15-7-12(18)13-16-6-9-10(14)4-3-5-11(9)17-13/h6-8,10H,2-5,14H2,1H3.
What are the key properties of 2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 243.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 66132789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).