(4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

C8H12N2O2 — CID 10419562

IUPAC(4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESC[C@H]1C(=O)NC(=O)N2CCC[C@H]12
InChIInChI=1S/C8H12N2O2/c1-5-6-3-2-4-10(6)8(12)9-7(5)11/h5-6H,2-4H2,1H3,(H,9,11,12)/t5-,6-/m1/s1
InChIKeyWOLDJWASDRDXRA-PHDIDXHHSA-N
MW168.20 g/mol
LogP0.34
Rot. Bonds

About (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

(4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (PubChem CID 10419562) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name(4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
PubChem CID10419562
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESC[C@H]1C(=O)NC(=O)N2CCC[C@H]12
InChIInChI=1S/C8H12N2O2/c1-5-6-3-2-4-10(6)8(12)9-7(5)11/h5-6H,2-4H2,1H3,(H,9,11,12)/t5-,6-/m1/s1
InChIKeyWOLDJWASDRDXRA-PHDIDXHHSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione with MolForge

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Related Compounds

Bucolome
CID 2461
Tetrahydropyrrolo(1,2-c)pyrimidine-1,3-dione
CID 61371349
2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione
CID 395093
6-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 168985920
(4aR,6S)-6-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 177078544
6-(2-Methylpropyl)-1,3-diazinane-2,4-dione
CID 73706393
(6R)-6-(2-methylpropyl)-1,3-diazinane-2,4-dione
CID 96357093
3-(2,2,2-Trifluoroethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione
CID 116013151
(4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 10465222
(4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione
CID 101622086
1,4a,5,6,7,7a-Hexahydrocyclopenta[d]pyrimidine-2,4-dione
CID 10441894
5-(4-Ethyl-2-methylpyrrolidin-3-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 12010775

Frequently Asked Questions

What is the IUPAC name of (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (CID 10419562) is (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is C[C@H]1C(=O)NC(=O)N2CCC[C@H]12.
What is the InChIKey of (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The InChIKey is WOLDJWASDRDXRA-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-6-3-2-4-10(6)8(12)9-7(5)11/h5-6H,2-4H2,1H3,(H,9,11,12)/t5-,6-/m1/s1.
What are the key properties of (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
(4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione has a molecular weight of 168.20 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10419562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).