2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride

C14H21Cl2N5O — CID 142633392

IUPAC2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride
SMILESCOCCNC1=C2CCCC=C2NC(n2ccnc2)=N1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-20-9-7-16-13-11-4-2-3-5-12(11)17-14(18-13)19-8-6-15-10-19;;/h5-6,8,10,16H,2-4,7,9H2,1H3,(H,17,18);2*1H
InChIKeyCELFOQWRXJXUIA-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.05
Rot. Bonds4

About 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride

2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride (PubChem CID 142633392) has the molecular formula C14H21Cl2N5O and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride
PubChem CID142633392
Molecular FormulaC14H21Cl2N5O
Molecular Weight346.26 g/mol
Exact Mass345.11
IUPAC Name2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride
SMILESCOCCNC1=C2CCCC=C2NC(n2ccnc2)=N1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-20-9-7-16-13-11-4-2-3-5-12(11)17-14(18-13)19-8-6-15-10-19;;/h5-6,8,10,16H,2-4,7,9H2,1H3,(H,17,18);2*1H
InChIKeyCELFOQWRXJXUIA-UHFFFAOYSA-N
XLogP2.05
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen
CID 168979426
(Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine
CID 114532898
2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine
CID 142633393
6-(Imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine
CID 142996691
1-(3-Cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea
CID 168979427

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride?
The IUPAC name of 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride (CID 142633392) is 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride?
The canonical SMILES for 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride is COCCNC1=C2CCCC=C2NC(n2ccnc2)=N1.Cl.Cl.
What is the InChIKey of 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride?
The InChIKey is CELFOQWRXJXUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.2ClH/c1-20-9-7-16-13-11-4-2-3-5-12(11)17-14(18-13)19-8-6-15-10-19;;/h5-6,8,10,16H,2-4,7,9H2,1H3,(H,17,18);2*1H.
What are the key properties of 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride?
2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride is sourced from PubChem (CID 142633392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).