(4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C16H21N3O2S — CID 7330778

IUPAC(4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCC(C)[C@@H](C)N1CC2=C(C1=O)[C@H](c1ccsc1)NC(=O)N2C
InChIInChI=1S/C16H21N3O2S/c1-9(2)10(3)19-7-12-13(15(19)20)14(11-5-6-22-8-11)17-16(21)18(12)4/h5-6,8-10,14H,7H2,1-4H3,(H,17,21)/t10-,14+/m1/s1
InChIKeyLIZNDUUOYHUTTD-YGRLFVJLSA-N
MW319.43 g/mol
LogP2.59
Rot. Bonds3

About (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

(4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 7330778) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID7330778
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCC(C)[C@@H](C)N1CC2=C(C1=O)[C@H](c1ccsc1)NC(=O)N2C
InChIInChI=1S/C16H21N3O2S/c1-9(2)10(3)19-7-12-13(15(19)20)14(11-5-6-22-8-11)17-16(21)18(12)4/h5-6,8-10,14H,7H2,1-4H3,(H,17,21)/t10-,14+/m1/s1
InChIKeyLIZNDUUOYHUTTD-YGRLFVJLSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

(4S)-6-butyl-1-methyl-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7112746
(4R)-6-butyl-1-methyl-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7112745
(4S)-1-methyl-4-phenyl-6-[(1R)-1-phenylethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7144798
(4R)-6-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7112372
(2S)-2-[(4S)-1-ethyl-2,5-dioxo-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)-4-methylpentanamide
CID 93135130
diethyl-[(4S)-4-[(4S)-4-(4-fluorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]pentyl]azanium
CID 7356685
(4S)-1-prop-2-enyl-6-propyl-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7271062
(4S)-6-[(2S)-butan-2-yl]-4-(3,5-dimethoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7112706
4-methyl-2-(1-methyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)pentanamide
CID 42818648
6-cyclopropyl-1-methyl-4-(4-propan-2-ylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42789288
(2S)-2-[(4S)-1-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide
CID 93134686
6-pentyl-1-prop-2-enyl-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 3877646

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 7330778) is (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CC(C)[C@@H](C)N1CC2=C(C1=O)[C@H](c1ccsc1)NC(=O)N2C.
What is the InChIKey of (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is LIZNDUUOYHUTTD-YGRLFVJLSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-9(2)10(3)19-7-12-13(15(19)20)14(11-5-6-22-8-11)17-16(21)18(12)4/h5-6,8-10,14H,7H2,1-4H3,(H,17,21)/t10-,14+/m1/s1.
What are the key properties of (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
(4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 319.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-6-[(2R)-3-methylbutan-2-yl]-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 7330778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).