3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C22H25N5O3 — CID 69181897

IUPAC3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)cc2n(CCOC)c1=O
InChIInChI=1S/C22H25N5O3/c1-3-4-10-26-21(28)20-19(25(22(26)29)11-12-30-2)13-18(24-20)16-14-23-27(15-16)17-8-6-5-7-9-17/h5-9,13-15,24H,3-4,10-12H2,1-2H3
InChIKeySVPLTUYGCRPCTE-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.79
Rot. Bonds8

About 3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 69181897) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID69181897
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)cc2n(CCOC)c1=O
InChIInChI=1S/C22H25N5O3/c1-3-4-10-26-21(28)20-19(25(22(26)29)11-12-30-2)13-18(24-20)16-14-23-27(15-16)17-8-6-5-7-9-17/h5-9,13-15,24H,3-4,10-12H2,1-2H3
InChIKeySVPLTUYGCRPCTE-UHFFFAOYSA-N
XLogP2.79
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11326776
3-butyl-1-(1-methoxyethyl)-5-nitro-6-(1-phenylpyrazol-4-yl)pyrimidine-2,4-dione
CID 87739532
1-butyl-6-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 69180303
2-[4-[3-ethyl-1-(3-methoxypropyl)-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl]phenoxy]acetic acid
CID 11531449
8-(1-benzylpyrazol-4-yl)-1,3-dibutyl-7H-purine-2,6-dione
CID 11524593
6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 101231999
3-(3-methoxypropyl)-8-(3-phenylpropyl)-1-propyl-7H-purine-2,6-dione
CID 45267186
2-[4-[1-(3-methoxypropyl)-3-methyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl]phenoxy]-N-phenylacetamide
CID 11561715
1-(2-methylpropyl)-3-propyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 69182676
3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 22325515
1-butyl-8-phenyl-3,7-dihydropurine-2,6-dione
CID 11781054
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 11525816

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 69181897) is 3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)cc2n(CCOC)c1=O.
What is the InChIKey of 3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is SVPLTUYGCRPCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-3-4-10-26-21(28)20-19(25(22(26)29)11-12-30-2)13-18(24-20)16-14-23-27(15-16)17-8-6-5-7-9-17/h5-9,13-15,24H,3-4,10-12H2,1-2H3.
What are the key properties of 3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 407.47 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2-methoxyethyl)-6-(1-phenylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 69181897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).