N-(2,4-dimethylcyclohexyl)quinazolin-4-amine

C16H21N3 — CID 63994918

IUPACN-(2,4-dimethylcyclohexyl)quinazolin-4-amine
SMILESCC1CCC(Nc2ncnc3ccccc23)C(C)C1
InChIInChI=1S/C16H21N3/c1-11-7-8-14(12(2)9-11)19-16-13-5-3-4-6-15(13)17-10-18-16/h3-6,10-12,14H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyMDXMLRQFCZVSGS-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.87
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)quinazolin-4-amine

N-(2,4-dimethylcyclohexyl)quinazolin-4-amine (PubChem CID 63994918) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)quinazolin-4-amine
PubChem CID63994918
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(2,4-dimethylcyclohexyl)quinazolin-4-amine
SMILESCC1CCC(Nc2ncnc3ccccc23)C(C)C1
InChIInChI=1S/C16H21N3/c1-11-7-8-14(12(2)9-11)19-16-13-5-3-4-6-15(13)17-10-18-16/h3-6,10-12,14H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyMDXMLRQFCZVSGS-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
CID 80907681
N-(2,4-dimethylcyclohexyl)cinnolin-4-amine
CID 63994529
N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine
CID 103765143
4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine
CID 79915809
2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine
CID 114632712
N-(2,2-dimethylcyclopentyl)quinazolin-4-amine
CID 79838682
N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 725428
N-(1-oxothian-4-yl)quinazolin-4-amine
CID 104576518
N-(3-ethoxycyclobutyl)quinazolin-4-amine
CID 102609150
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol
CID 122172806
4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835182
4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine
CID 65336893

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)quinazolin-4-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)quinazolin-4-amine (CID 63994918) is N-(2,4-dimethylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)quinazolin-4-amine is CC1CCC(Nc2ncnc3ccccc23)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)quinazolin-4-amine?
The InChIKey is MDXMLRQFCZVSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-7-8-14(12(2)9-11)19-16-13-5-3-4-6-15(13)17-10-18-16/h3-6,10-12,14H,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2,4-dimethylcyclohexyl)quinazolin-4-amine?
N-(2,4-dimethylcyclohexyl)quinazolin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 63994918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).