6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C16H21N5O3 — CID 56951623

IUPAC6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)cc2n(CCC)c1=O
InChIInChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22)
InChIKeyXTPGQKWWIMCPGM-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.01
Rot. Bonds5

About 6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 56951623) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID56951623
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)cc2n(CCC)c1=O
InChIInChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22)
InChIKeyXTPGQKWWIMCPGM-UHFFFAOYSA-N
XLogP1.01
TPSA97.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 56951623) is 6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)cc2n(CCC)c1=O.
What is the InChIKey of 6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is XTPGQKWWIMCPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22).
What are the key properties of 6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56951623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).