2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C18H22N6 — CID 126934158

IUPAC2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cncnc1N1CC2CN(c3ccnc(C4CC4)n3)CC2C1
InChIInChI=1S/C18H22N6/c1-12-6-19-11-21-18(12)24-9-14-7-23(8-15(14)10-24)16-4-5-20-17(22-16)13-2-3-13/h4-6,11,13-15H,2-3,7-10H2,1H3
InChIKeyGFCSXNINANOVCT-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126934158) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126934158
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cncnc1N1CC2CN(c3ccnc(C4CC4)n3)CC2C1
InChIInChI=1S/C18H22N6/c1-12-6-19-11-21-18(12)24-9-14-7-23(8-15(14)10-24)16-4-5-20-17(22-16)13-2-3-13/h4-6,11,13-15H,2-3,7-10H2,1H3
InChIKeyGFCSXNINANOVCT-UHFFFAOYSA-N
XLogP2.03
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126934158) is 2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cncnc1N1CC2CN(c3ccnc(C4CC4)n3)CC2C1.
What is the InChIKey of 2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is GFCSXNINANOVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-12-6-19-11-21-18(12)24-9-14-7-23(8-15(14)10-24)16-4-5-20-17(22-16)13-2-3-13/h4-6,11,13-15H,2-3,7-10H2,1H3.
What are the key properties of 2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 322.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126934158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).