6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

C17H19N3O3 — CID 4971933

IUPAC6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(CCCO)cc2n(C)c1=O
InChIInChI=1S/C17H19N3O3/c1-18-13-11-20(9-6-10-21)15(12-7-4-3-5-8-12)14(13)16(22)19(2)17(18)23/h3-5,7-8,11,21H,6,9-10H2,1-2H3
InChIKeyZGJQUWCVSPMFJB-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.09
Rot. Bonds4

About 6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 4971933) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID4971933
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(CCCO)cc2n(C)c1=O
InChIInChI=1S/C17H19N3O3/c1-18-13-11-20(9-6-10-21)15(12-7-4-3-5-8-12)14(13)16(22)19(2)17(18)23/h3-5,7-8,11,21H,6,9-10H2,1-2H3
InChIKeyZGJQUWCVSPMFJB-UHFFFAOYSA-N
XLogP1.09
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 5282550
3-Methyl-6-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10066275
1,3-dimethyl-5-(3-methylphenyl)-6-(propan-2-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663643
6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664394
1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664477
1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664496
6-(3,4-dimethylphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 665353
1,3,10-trimethylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione
CID 753710
3,9,11-trimethylpyrimido[5',4':3,4]pyrrolo[2,1-a]isoquinoline-10,12(9H,11H)-dione
CID 937357
6-Benzyl-1,3-dimethyl-5-p-tolyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 1992652
1-(2-Hydroxypropyl)-3-methyl-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 5282554
5-(4-chlorobenzyl)-3-(3-hydroxypropyl)-1,7-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 118863773

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 4971933) is 6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3)n(CCCO)cc2n(C)c1=O.
What is the InChIKey of 6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is ZGJQUWCVSPMFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-18-13-11-20(9-6-10-21)15(12-7-4-3-5-8-12)14(13)16(22)19(2)17(18)23/h3-5,7-8,11,21H,6,9-10H2,1-2H3.
What are the key properties of 6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4971933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).