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

C19H21N7 — CID 126931938

IUPAC2-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
SMILESCc1cc(N2CC3CN(c4nc(C)nc5cnccc45)CC3C2)ncn1
InChIInChI=1S/C19H21N7/c1-12-5-18(22-11-21-12)25-7-14-9-26(10-15(14)8-25)19-16-3-4-20-6-17(16)23-13(2)24-19/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyOJRYGBJZVMCSQN-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.00
Rot. Bonds2

About 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

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 (PubChem CID 126931938) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID126931938
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-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
SMILESCc1cc(N2CC3CN(c4nc(C)nc5cnccc45)CC3C2)ncn1
InChIInChI=1S/C19H21N7/c1-12-5-18(22-11-21-12)25-7-14-9-26(10-15(14)8-25)19-16-3-4-20-6-17(16)23-13(2)24-19/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyOJRYGBJZVMCSQN-UHFFFAOYSA-N
XLogP2.00
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
2-methyl-4-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 155976620
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-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 163356545
N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 172881962
2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 154853620
3-methyl-2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126932274
2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163356963
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N2CC3CN(c4nc(C)nc5cnccc45)CC3C2)ncn1.
What is the InChIKey of 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?
The InChIKey is OJRYGBJZVMCSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-12-5-18(22-11-21-12)25-7-14-9-26(10-15(14)8-25)19-16-3-4-20-6-17(16)23-13(2)24-19/h3-6,11,14-15H,7-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 347.43 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126931938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).