N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C18H21N3 — CID 22143475

IUPACN-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1ccc(-c2nc3c(c(NC4CC4)n2)CCCC3)cc1
InChIInChI=1S/C18H21N3/c1-12-6-8-13(9-7-12)17-20-16-5-3-2-4-15(16)18(21-17)19-14-10-11-14/h6-9,14H,2-5,10-11H2,1H3,(H,19,20,21)
InChIKeyXAPPUSODBOTQAP-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.91
Rot. Bonds3

About N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 22143475) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID22143475
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1ccc(-c2nc3c(c(NC4CC4)n2)CCCC3)cc1
InChIInChI=1S/C18H21N3/c1-12-6-8-13(9-7-12)17-20-16-5-3-2-4-15(16)18(21-17)19-14-10-11-14/h6-9,14H,2-5,10-11H2,1H3,(H,19,20,21)
InChIKeyXAPPUSODBOTQAP-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 22143475) is N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1ccc(-c2nc3c(c(NC4CC4)n2)CCCC3)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is XAPPUSODBOTQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-6-8-13(9-7-12)17-20-16-5-3-2-4-15(16)18(21-17)19-14-10-11-14/h6-9,14H,2-5,10-11H2,1H3,(H,19,20,21).
What are the key properties of N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 279.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 22143475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).