4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C14H18ClN5 — CID 82461164

IUPAC4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESClc1nc(NCCCn2ccnc2)nc2c1CCCC2
InChIInChI=1S/C14H18ClN5/c15-13-11-4-1-2-5-12(11)18-14(19-13)17-6-3-8-20-9-7-16-10-20/h7,9-10H,1-6,8H2,(H,17,18,19)
InChIKeyJKLZTDFZFNYNHI-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.71
Rot. Bonds5

About 4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine

4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 82461164) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID82461164
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESClc1nc(NCCCn2ccnc2)nc2c1CCCC2
InChIInChI=1S/C14H18ClN5/c15-13-11-4-1-2-5-12(11)18-14(19-13)17-6-3-8-20-9-7-16-10-20/h7,9-10H,1-6,8H2,(H,17,18,19)
InChIKeyJKLZTDFZFNYNHI-UHFFFAOYSA-N
XLogP2.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703
4-chloro-N-(3-imidazol-1-ylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869150
2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 3230162
4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 82461125
12-N-(2-imidazol-1-ylethyl)-8-methyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine
CID 177147628
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268167
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-chlorophenyl)-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 23816109
2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80757025
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 82461164) is 4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine is Clc1nc(NCCCn2ccnc2)nc2c1CCCC2.
What is the InChIKey of 4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is JKLZTDFZFNYNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c15-13-11-4-1-2-5-12(11)18-14(19-13)17-6-3-8-20-9-7-16-10-20/h7,9-10H,1-6,8H2,(H,17,18,19).
What are the key properties of 4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 291.79 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 82461164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).