5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide

C19H21Cl2N5O — CID 155089518

IUPAC5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide
SMILESCc1nc(N2CC3CN(C)CC3C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H21Cl2N5O/c1-10-15(13-4-3-5-14(20)16(13)21)17(18(22)27)24-19(23-10)26-8-11-6-25(2)7-12(11)9-26/h3-5,11-12H,6-9H2,1-2H3,(H2,22,27)
InChIKeyKETZUNJWEVGBTA-UHFFFAOYSA-N
MW406.32 g/mol
LogP2.86
Rot. Bonds3

About 5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide

5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide (PubChem CID 155089518) has the molecular formula C19H21Cl2N5O and a molecular weight of 406.32 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide
PubChem CID155089518
Molecular FormulaC19H21Cl2N5O
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide
SMILESCc1nc(N2CC3CN(C)CC3C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H21Cl2N5O/c1-10-15(13-4-3-5-14(20)16(13)21)17(18(22)27)24-19(23-10)26-8-11-6-25(2)7-12(11)9-26/h3-5,11-12H,6-9H2,1-2H3,(H2,22,27)
InChIKeyKETZUNJWEVGBTA-UHFFFAOYSA-N
XLogP2.86
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide (CID 155089518) is 5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide is Cc1nc(N2CC3CN(C)CC3C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is KETZUNJWEVGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O/c1-10-15(13-4-3-5-14(20)16(13)21)17(18(22)27)24-19(23-10)26-8-11-6-25(2)7-12(11)9-26/h3-5,11-12H,6-9H2,1-2H3,(H2,22,27).
What are the key properties of 5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide?
5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 406.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 155089518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).