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

C14H19N5O — CID 142633393

IUPAC2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine
SMILESCOCCNC1=C2CCCC=C2NC(n2ccnc2)=N1
InChIInChI=1S/C14H19N5O/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)
InChIKeyIIVDQGPFIJYJMY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.21
Rot. Bonds4

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

2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine (PubChem CID 142633393) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine
PubChem CID142633393
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine
SMILESCOCCNC1=C2CCCC=C2NC(n2ccnc2)=N1
InChIInChI=1S/C14H19N5O/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)
InChIKeyIIVDQGPFIJYJMY-UHFFFAOYSA-N
XLogP1.21
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.21
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

6-(3-imidazol-1-ylpropyl)-7H-pyrido[3,4-d]pyrimidine-4,6-diamine
CID 69755911
3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine
CID 141424906
2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride
CID 142633392
N-(3-imidazol-1-ylpropyl)-4-[(1E,3Z)-3-[(Z)-2-(methylamino)ethenyl]penta-1,3-dienyl]cyclohexa-1,3-dien-1-amine
CID 143546587
4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine
CID 167243752
1-(3-Cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen
CID 168979426
(4E)-3-amino-4-(imidazol-1-ylmethylidene)-N'-(3-methoxypropyl)-N-methylidenehex-2-enimidamide
CID 173551964
5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107702
5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81109013
(Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine
CID 114532898
6-(Imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine
CID 142996691
2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide
CID 142996700

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine (CID 142633393) is 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine is COCCNC1=C2CCCC=C2NC(n2ccnc2)=N1.
What is the InChIKey of 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine?
The InChIKey is IIVDQGPFIJYJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/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).
What are the key properties of 2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine?
2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 1.21, 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 is sourced from PubChem (CID 142633393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).