2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine

C20H30N4 — CID 142231142

IUPAC2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(NCC2CCCCC2)nc2c1=CCC=CC=2
InChIInChI=1S/C20H30N4/c1-3-24(4-2)19-17-13-9-6-10-14-18(17)22-20(23-19)21-15-16-11-7-5-8-12-16/h6,10,13-14,16H,3-5,7-9,11-12,15H2,1-2H3,(H,21,22)
InChIKeyRXVYAQPOKRYQQJ-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.84
Rot. Bonds6

About 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine

2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine (PubChem CID 142231142) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine
PubChem CID142231142
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(NCC2CCCCC2)nc2c1=CCC=CC=2
InChIInChI=1S/C20H30N4/c1-3-24(4-2)19-17-13-9-6-10-14-18(17)22-20(23-19)21-15-16-11-7-5-8-12-16/h6,10,13-14,16H,3-5,7-9,11-12,15H2,1-2H3,(H,21,22)
InChIKeyRXVYAQPOKRYQQJ-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-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
N-[3-[[(Z)-but-2-enyl]-methylamino]but-3-enyl]-N'-[N'-(cyclohexylmethyl)-N-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]carbamimidoyl]-N-methylethanimidamide;ethane;N-[3-ethyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-yl]sulfanylmethanamine
CID 142229540
ethane;3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine;methylcyclopentane
CID 143181692
1-(cyclohexa-1,5-dien-1-ylmethyl)-6-cyclohex-3-en-1-yl-4-[(2E,4Z)-6-[6-[4-(2,4-dimethylpenta-1,3-dien-3-yl)-3-ethylcyclohepta-1,3-dien-1-yl]-1,2-dihydropyridin-3-yl]hepta-2,4-dien-3-yl]-2H-1,3,5-triazine
CID 169851137
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
2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142229396

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine (CID 142231142) is 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine is CCN(CC)c1nc(NCC2CCCCC2)nc2c1=CCC=CC=2.
What is the InChIKey of 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine?
The InChIKey is RXVYAQPOKRYQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-3-24(4-2)19-17-13-9-6-10-14-18(17)22-20(23-19)21-15-16-11-7-5-8-12-16/h6,10,13-14,16H,3-5,7-9,11-12,15H2,1-2H3,(H,21,22).
What are the key properties of 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine?
2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine has a molecular weight of 326.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 142231142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).