4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine

C21H34N4 — CID 142230883

IUPAC4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine
SMILESCCC(C)CC1CCC(Nc2nc(N(C)C)c3c(n2)=CCCC=3)CC1
InChIInChI=1S/C21H34N4/c1-5-15(2)14-16-10-12-17(13-11-16)22-21-23-19-9-7-6-8-18(19)20(24-21)25(3)4/h8-9,15-17H,5-7,10-14H2,1-4H3,(H,22,23)
InChIKeyUHTVEUPDFLYEHZ-UHFFFAOYSA-N
MW342.53 g/mol
LogP3.30
Rot. Bonds6

About 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine

4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine (PubChem CID 142230883) has the molecular formula C21H34N4 and a molecular weight of 342.53 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine
PubChem CID142230883
Molecular FormulaC21H34N4
Molecular Weight342.53 g/mol
Exact Mass342.28
IUPAC Name4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine
SMILESCCC(C)CC1CCC(Nc2nc(N(C)C)c3c(n2)=CCCC=3)CC1
InChIInChI=1S/C21H34N4/c1-5-15(2)14-16-10-12-17(13-11-16)22-21-23-19-9-7-6-8-18(19)20(24-21)25(3)4/h8-9,15-17H,5-7,10-14H2,1-4H3,(H,22,23)
InChIKeyUHTVEUPDFLYEHZ-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine with MolForge

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Related Compounds

2-N-[4-[3-[2-(4-cyclohex-2-en-1-yl-3-fluorocyclohexa-2,4-dien-1-yl)propyl]aziridin-2-yl]cyclohexyl]-4-N,4-N-dimethyl-6,7-dihydroquinazoline-2,4-diamine
CID 142231270
2-methyl-N'-[4-[[7-[methyl(pentyl)amino]-2,3-dihydroquinoxalin-5-yl]methyl]cyclohexyl]-N-prop-1-en-2-ylcyclopentene-1-carboximidamide
CID 139420164
4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-2-[4-(2-cyclohexa-1,5-dien-1-yl-2,3-dihydro-1H-pyrrol-5-yl)-2-methyl-5-(3,4,5,6,7,8,9,10-octahydrophenanthren-9-yl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146647164
2-(4-aminocyclohexyl)-4-N,4-N-dimethyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine
CID 153756516
1-(2-aminocyclohexa-1,3-dien-1-yl)-N'-(2-cycloheptyl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-yl)methanediamine
CID 157630318
N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine
CID 166887415
6-Cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine
CID 176523055
4-Cyclohexa-1,5-dien-1-yl-2-(4-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-6-[4-cyclohex-3-en-1-yl-5-[2,6-di(cyclohexa-2,4-dien-1-yl)-1,2-dihydropyridin-3-yl]cyclohex-3-en-1-yl]-1,2-dihydro-1,3,5-triazine
CID 176523056
(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
CID 142228241
2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142229396
4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230474
4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230604

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine (CID 142230883) is 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine is CCC(C)CC1CCC(Nc2nc(N(C)C)c3c(n2)=CCCC=3)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine?
The InChIKey is UHTVEUPDFLYEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4/c1-5-15(2)14-16-10-12-17(13-11-16)22-21-23-19-9-7-6-8-18(19)20(24-21)25(3)4/h8-9,15-17H,5-7,10-14H2,1-4H3,(H,22,23).
What are the key properties of 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine?
4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine has a molecular weight of 342.53 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine is sourced from PubChem (CID 142230883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).