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

C19H24N6 — CID 126931918

IUPAC2-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
SMILESCc1cc(N2CC3CN(c4nc(C)nc5c4CCC5)CC3C2)ncn1
InChIInChI=1S/C19H24N6/c1-12-6-18(21-11-20-12)24-7-14-9-25(10-15(14)8-24)19-16-4-3-5-17(16)22-13(2)23-19/h6,11,14-15H,3-5,7-10H2,1-2H3
InChIKeyAKTPPOHQGHQGRV-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.94
Rot. Bonds2

About 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

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 (PubChem CID 126931918) has the molecular formula C19H24N6 and a molecular weight of 336.44 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]-6,7-dihydro-5H-cyclopenta[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]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID126931918
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name2-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
SMILESCc1cc(N2CC3CN(c4nc(C)nc5c4CCC5)CC3C2)ncn1
InChIInChI=1S/C19H24N6/c1-12-6-18(21-11-20-12)24-7-14-9-25(10-15(14)8-24)19-16-4-3-5-17(16)22-13(2)23-19/h6,11,14-15H,3-5,7-10H2,1-2H3
InChIKeyAKTPPOHQGHQGRV-UHFFFAOYSA-N
XLogP1.94
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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]-6,7-dihydro-5H-cyclopenta[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]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 126931918) is 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.
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]-6,7-dihydro-5H-cyclopenta[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]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1cc(N2CC3CN(c4nc(C)nc5c4CCC5)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]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is AKTPPOHQGHQGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-12-6-18(21-11-20-12)24-7-14-9-25(10-15(14)8-24)19-16-4-3-5-17(16)22-13(2)23-19/h6,11,14-15H,3-5,7-10H2,1-2H3.
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]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
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 has a molecular weight of 336.44 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 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]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 126931918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).