1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine

C18H22N8 — CID 126858164

IUPAC1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1cc(N2CC3CN(c4nc(C)nc5c4cnn5C)CC3C2)ncn1
InChIInChI=1S/C18H22N8/c1-11-4-16(20-10-19-11)25-6-13-8-26(9-14(13)7-25)18-15-5-21-24(3)17(15)22-12(2)23-18/h4-5,10,13-14H,6-9H2,1-3H3
InChIKeyGFGFVRMKTDTQHF-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.34
Rot. Bonds2

About 1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine

1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 126858164) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID126858164
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1cc(N2CC3CN(c4nc(C)nc5c4cnn5C)CC3C2)ncn1
InChIInChI=1S/C18H22N8/c1-11-4-16(20-10-19-11)25-6-13-8-26(9-14(13)7-25)18-15-5-21-24(3)17(15)22-12(2)23-18/h4-5,10,13-14H,6-9H2,1-3H3
InChIKeyGFGFVRMKTDTQHF-UHFFFAOYSA-N
XLogP1.34
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidine
CID 126931938
2-methyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 126931918
4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 139027454
(3aS,6aS)-5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
CID 163305317
1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 126900211
6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
CID 126932599
6-[5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 146074598
4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidine
CID 126931937
3-methyl-5-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,2,4-thiadiazole
CID 126931726
(3aS,4S,7aR)-2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-ethyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 162634962
5-(5-fluoropyrimidin-2-yl)-2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931694
8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane
CID 163929188

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine (CID 126858164) is 1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine is Cc1cc(N2CC3CN(c4nc(C)nc5c4cnn5C)CC3C2)ncn1.
What is the InChIKey of 1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is GFGFVRMKTDTQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-11-4-16(20-10-19-11)25-6-13-8-26(9-14(13)7-25)18-15-5-21-24(3)17(15)22-12(2)23-18/h4-5,10,13-14H,6-9H2,1-3H3.
What are the key properties of 1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine?
1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 350.43 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 126858164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).