6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

C20H21N5O2 — CID 58283996

IUPAC6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c2c(c1=O)CC(c1cnn(Cc3ccccc3)c1)=N2
InChIInChI=1S/C20H21N5O2/c1-2-3-9-25-19(26)16-10-17(22-18(16)23-20(25)27)15-11-21-24(13-15)12-14-7-5-4-6-8-14/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,23,27)
InChIKeyRGWWBELRMVKDPD-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.26
Rot. Bonds6

About 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 58283996) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID58283996
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c2c(c1=O)CC(c1cnn(Cc3ccccc3)c1)=N2
InChIInChI=1S/C20H21N5O2/c1-2-3-9-25-19(26)16-10-17(22-18(16)23-20(25)27)15-11-21-24(13-15)12-14-7-5-4-6-8-14/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,23,27)
InChIKeyRGWWBELRMVKDPD-UHFFFAOYSA-N
XLogP2.26
TPSA85.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

8-(1-benzylpyrazol-4-yl)-1,3-dibutyl-7H-purine-2,6-dione
CID 11524593
6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11326776
8-(1-benzylpyrazol-4-yl)-2-piperidin-1-yl-1-propyl-7H-purin-6-one
CID 46913175
6-(1-benzylpyrazol-4-yl)-12-methyl-8-pentyl-1,4,8,10,11-pentazatricyclo[7.3.0.03,7]dodeca-3(7),5,9,11-tetraen-2-one
CID 146225441
3-propyl-2-[4-(trifluoromethyl)phenyl]-6-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5H-pyrrolo[2,3-d]pyrimidin-4-one
CID 159027206
1-[3-(1-benzylpyrazol-4-yl)propyl]-8-chloro-3-pentyl-7H-purine-2,6-dione
CID 59395887
8-(1-benzylpyrazol-4-yl)-1,3-dimethyl-7H-purine-2,6-dione
CID 11493754
3-[[4-(7-oxo-8-propyl-1,3,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)pyrazol-1-yl]methyl]benzonitrile
CID 158924015
8-propyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CID 157215380
N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide
CID 24827795
1-butyl-8-phenyl-3,7-dihydropurine-2,6-dione
CID 11781054
5-butyl-11-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 10383314

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (CID 58283996) is 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is CCCCn1c(=O)[nH]c2c(c1=O)CC(c1cnn(Cc3ccccc3)c1)=N2.
What is the InChIKey of 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RGWWBELRMVKDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-2-3-9-25-19(26)16-10-17(22-18(16)23-20(25)27)15-11-21-24(13-15)12-14-7-5-4-6-8-14/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,23,27).
What are the key properties of 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 363.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpyrazol-4-yl)-3-butyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 58283996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).