4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine

C19H30N4 — CID 142230474

IUPAC4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCC[C@H](C)CCC(C)Nc1nc(N(C)C)c2c(n1)=CC=CCC=2
InChIInChI=1S/C19H30N4/c1-6-14(2)12-13-15(3)20-19-21-17-11-9-7-8-10-16(17)18(22-19)23(4)5/h7,9-11,14-15H,6,8,12-13H2,1-5H3,(H,20,21)/t14-,15?/m0/s1
InChIKeyOIQQPYMGWLAANB-MLCCFXAWSA-N
MW314.48 g/mol
LogP2.69
Rot. Bonds7

About 4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine (PubChem CID 142230474) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
PubChem CID142230474
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCC[C@H](C)CCC(C)Nc1nc(N(C)C)c2c(n1)=CC=CCC=2
InChIInChI=1S/C19H30N4/c1-6-14(2)12-13-15(3)20-19-21-17-11-9-7-8-10-16(17)18(22-19)23(4)5/h7,9-11,14-15H,6,8,12-13H2,1-5H3,(H,20,21)/t14-,15?/m0/s1
InChIKeyOIQQPYMGWLAANB-MLCCFXAWSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-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
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
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

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine (CID 142230474) is 4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine is CC[C@H](C)CCC(C)Nc1nc(N(C)C)c2c(n1)=CC=CCC=2.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine?
The InChIKey is OIQQPYMGWLAANB-MLCCFXAWSA-N. The full InChI is InChI=1S/C19H30N4/c1-6-14(2)12-13-15(3)20-19-21-17-11-9-7-8-10-16(17)18(22-19)23(4)5/h7,9-11,14-15H,6,8,12-13H2,1-5H3,(H,20,21)/t14-,15?/m0/s1.
What are the key properties of 4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine has a molecular weight of 314.48 g/mol, XLogP of 2.69, 7 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-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 142230474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).