4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine

C18H26N4 — CID 142230849

IUPAC4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCC1CCC(Nc2nc(N(C)C)c3c(n2)=CCC=CC=3)CC1
InChIInChI=1S/C18H26N4/c1-13-9-11-14(12-10-13)19-18-20-16-8-6-4-5-7-15(16)17(21-18)22(2)3/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,19,20)
InChIKeyYAWACRZGSGLYRV-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.05
Rot. Bonds3

About 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine (PubChem CID 142230849) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
PubChem CID142230849
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCC1CCC(Nc2nc(N(C)C)c3c(n2)=CCC=CC=3)CC1
InChIInChI=1S/C18H26N4/c1-13-9-11-14(12-10-13)19-18-20-16-8-6-4-5-7-15(16)17(21-18)22(2)3/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,19,20)
InChIKeyYAWACRZGSGLYRV-UHFFFAOYSA-N
XLogP2.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-N-[2-(azetidin-2-yl)ethyl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,14-pentaene-4,6-diamine
CID 67461165
1-(4-Aminocyclohex-2-en-1-yl)-2-[6-(4-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-2-yl]guanidine
CID 173890090
5-[(E)-3-(but-2-en-2-ylamino)prop-1-enyl]-2-methylidene-1-(3-prop-2-enylhept-6-en-2-yl)pyrimidin-4-amine
CID 174295301
4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142228194
(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
CID 142228241
4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142228432
2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
CID 142228503
N-[4-[[[4-(dimethylamino)-8H-cyclohepta[d]pyrimidin-2-yl]amino]methyl]cyclohexyl]formamide
CID 142228531
3-(Cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine
CID 142229283
2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142229396
(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
CID 142230397
4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230474

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine (CID 142230849) is 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine is CC1CCC(Nc2nc(N(C)C)c3c(n2)=CCC=CC=3)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The InChIKey is YAWACRZGSGLYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-13-9-11-14(12-10-13)19-18-20-16-8-6-4-5-7-15(16)17(21-18)22(2)3/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,19,20).
What are the key properties of 4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 2.05, 3 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-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 142230849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).