2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C17H21N5O3 — CID 167892501

IUPAC2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESO=C(CN1CCN(C2CC2)C1=O)N1Cc2nc(C3CC3)[nH]c(=O)c2C1
InChIInChI=1S/C17H21N5O3/c23-14(9-20-5-6-22(17(20)25)11-3-4-11)21-7-12-13(8-21)18-15(10-1-2-10)19-16(12)24/h10-11H,1-9H2,(H,18,19,24)
InChIKeyOJLMUHRHJUUPPL-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.39
Rot. Bonds4

About 2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 167892501) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID167892501
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESO=C(CN1CCN(C2CC2)C1=O)N1Cc2nc(C3CC3)[nH]c(=O)c2C1
InChIInChI=1S/C17H21N5O3/c23-14(9-20-5-6-22(17(20)25)11-3-4-11)21-7-12-13(8-21)18-15(10-1-2-10)19-16(12)24/h10-11H,1-9H2,(H,18,19,24)
InChIKeyOJLMUHRHJUUPPL-UHFFFAOYSA-N
XLogP0.39
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 154769069
2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795541
6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 167922966
2-[(3R)-1-butanoylpiperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892218
2-[(3S)-1-butanoylpiperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892219
2-cyclopropyl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944892
7-cyclohexyl-2-[(3R)-1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774752
7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865778
6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891771
6-[(4-bromofuran-2-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942654
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795909

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 167892501) is 2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is O=C(CN1CCN(C2CC2)C1=O)N1Cc2nc(C3CC3)[nH]c(=O)c2C1.
What is the InChIKey of 2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is OJLMUHRHJUUPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-14(9-20-5-6-22(17(20)25)11-3-4-11)21-7-12-13(8-21)18-15(10-1-2-10)19-16(12)24/h10-11H,1-9H2,(H,18,19,24).
What are the key properties of 2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 343.39 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 167892501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).