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

C18H19N7 — CID 126931937

IUPAC4-[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(c4ncnc5cnccc45)CC3C2)ncn1
InChIInChI=1S/C18H19N7/c1-12-4-17(22-10-20-12)24-6-13-8-25(9-14(13)7-24)18-15-2-3-19-5-16(15)21-11-23-18/h2-5,10-11,13-14H,6-9H2,1H3
InChIKeyWNAFYHZIXWPGPI-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.70
Rot. Bonds2

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

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 126931937) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 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 Name4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidine
PubChem CID126931937
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name4-[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(c4ncnc5cnccc45)CC3C2)ncn1
InChIInChI=1S/C18H19N7/c1-12-4-17(22-10-20-12)24-6-13-8-25(9-14(13)7-24)18-15-2-3-19-5-16(15)21-11-23-18/h2-5,10-11,13-14H,6-9H2,1H3
InChIKeyWNAFYHZIXWPGPI-UHFFFAOYSA-N
XLogP1.70
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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

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
N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 172881962
8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane
CID 163929188
5-pyrido[3,4-d]pyrimidin-4-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 166602383
5-(5-fluoropyrimidin-2-yl)-2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931694
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126945134
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
5-(5,6-dimethylpyrimidin-4-yl)-2-pyrimidin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933577
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126931871
morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
CID 163354113
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

Frequently Asked Questions

What is the IUPAC name of 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 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) is 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 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 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(c4ncnc5cnccc45)CC3C2)ncn1.
What is the InChIKey of 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 WNAFYHZIXWPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-12-4-17(22-10-20-12)24-6-13-8-25(9-14(13)7-24)18-15-2-3-19-5-16(15)21-11-23-18/h2-5,10-11,13-14H,6-9H2,1H3.
What are the key properties of 4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidine?
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 333.40 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 126931937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).