6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C17H25N5O3 — CID 72855234

IUPAC6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CC(=O)N(CCN(C)C)C1)C2
InChIInChI=1S/C17H25N5O3/c1-11-18-14-10-22(9-13(14)17(25)20(11)4)16(24)12-7-15(23)21(8-12)6-5-19(2)3/h12H,5-10H2,1-4H3
InChIKeyJYZVNUDKDMDSMJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.66
Rot. Bonds4

About 6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72855234) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72855234
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CC(=O)N(CCN(C)C)C1)C2
InChIInChI=1S/C17H25N5O3/c1-11-18-14-10-22(9-13(14)17(25)20(11)4)16(24)12-7-15(23)21(8-12)6-5-19(2)3/h12H,5-10H2,1-4H3
InChIKeyJYZVNUDKDMDSMJ-UHFFFAOYSA-N
XLogP-0.66
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Ethyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 118974124
5-Methyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 118974363
5-Tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 132040866
Ethane;5-methyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 145047544
Ethane;4-methyl-1,4,8-triazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one
CID 145047587
6-Tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane
CID 158157849
6-[(1-cyclopentyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70766070
6-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70784289
6-[(1-cyclopropyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72873270
6-[(1-ethyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72877565
6-[(1-isopropyl-4-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72926970
6-[(3R)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97124856

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72855234) is 6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)C1CC(=O)N(CCN(C)C)C1)C2.
What is the InChIKey of 6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is JYZVNUDKDMDSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-18-14-10-22(9-13(14)17(25)20(11)4)16(24)12-7-15(23)21(8-12)6-5-19(2)3/h12H,5-10H2,1-4H3.
What are the key properties of 6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 347.42 g/mol, XLogP of -0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72855234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).