1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione

C14H22N4O2 — CID 66207677

IUPAC1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCC1C2CNCC2CN1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H22N4O2/c1-9-12-6-15-5-10(12)7-18(9)8-11-4-13(19)17(3)14(20)16(11)2/h4,9-10,12,15H,5-8H2,1-3H3
InChIKeyMYVMZVDCEDGMLJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.88
Rot. Bonds2

About 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66207677) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID66207677
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCC1C2CNCC2CN1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H22N4O2/c1-9-12-6-15-5-10(12)7-18(9)8-11-4-13(19)17(3)14(20)16(11)2/h4,9-10,12,15H,5-8H2,1-3H3
InChIKeyMYVMZVDCEDGMLJ-UHFFFAOYSA-N
XLogP-0.88
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione (CID 66207677) is 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione is CC1C2CNCC2CN1Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is MYVMZVDCEDGMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-12-6-15-5-10(12)7-18(9)8-11-4-13(19)17(3)14(20)16(11)2/h4,9-10,12,15H,5-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 278.36 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66207677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).