4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H22N4 — CID 66242577

IUPAC4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1(C)C2CNCC2CN1c1ncnc2c1CCC2
InChIInChI=1S/C15H22N4/c1-15(2)12-7-16-6-10(12)8-19(15)14-11-4-3-5-13(11)17-9-18-14/h9-10,12,16H,3-8H2,1-2H3
InChIKeyIAEMMOUOQVWSRN-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.40
Rot. Bonds1

About 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 66242577) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID66242577
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1(C)C2CNCC2CN1c1ncnc2c1CCC2
InChIInChI=1S/C15H22N4/c1-15(2)12-7-16-6-10(12)8-19(15)14-11-4-3-5-13(11)17-9-18-14/h9-10,12,16H,3-8H2,1-2H3
InChIKeyIAEMMOUOQVWSRN-UHFFFAOYSA-N
XLogP1.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 59777309
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 127050019
N-(7,8-dihydro-6H-cyclopenta[d][1,2,4]triazolo[4,3-a]pyrimidin-5-yl)-N-isopentylamine
CID 6625582
Dimethyl{3-[(2-methyl(5,6,7-trihydrocyclopenta[2,1-e]pyrimidin-4-yl))amino]pro pyl}amine
CID 16876757
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 53192848
N~2~-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N~1~,N~1~-dimethylethane-1,2-diamine
CID 53192863
N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 53192897
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-amine
CID 62832968
(5R,7R)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66845508
(5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66845969
(5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166173460
(5R,7R)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 169567689

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 66242577) is 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC1(C)C2CNCC2CN1c1ncnc2c1CCC2.
What is the InChIKey of 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is IAEMMOUOQVWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2)12-7-16-6-10(12)8-19(15)14-11-4-3-5-13(11)17-9-18-14/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 258.37 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 66242577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).