6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione

C13H17ClN4O2 — CID 106040810

IUPAC6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(Cc2cnn(C)c2C)c1=O
InChIInChI=1S/C13H17ClN4O2/c1-4-5-10-11(14)16-13(20)18(12(10)19)7-9-6-15-17(3)8(9)2/h6H,4-5,7H2,1-3H3,(H,16,20)
InChIKeyQIUTYHGLYHZCKA-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.23
Rot. Bonds4

About 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione

6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 106040810) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID106040810
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(Cc2cnn(C)c2C)c1=O
InChIInChI=1S/C13H17ClN4O2/c1-4-5-10-11(14)16-13(20)18(12(10)19)7-9-6-15-17(3)8(9)2/h6H,4-5,7H2,1-3H3,(H,16,20)
InChIKeyQIUTYHGLYHZCKA-UHFFFAOYSA-N
XLogP1.23
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-chloro-5-propyl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 113404475
6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 113479595
6-chloro-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methoxy-1H-quinazoline-2,4-dione
CID 167881015
6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
CID 114109898
2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106034019
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 106040291
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107581193
3-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-propyl-1H-pyrimidine-2,4-dione
CID 107795706
3-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-benzimidazole-2-thione
CID 114139016
1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one
CID 72923084
6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107854464
6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione
CID 114958046

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione (CID 106040810) is 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(Cl)[nH]c(=O)n(Cc2cnn(C)c2C)c1=O.
What is the InChIKey of 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is QIUTYHGLYHZCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-4-5-10-11(14)16-13(20)18(12(10)19)7-9-6-15-17(3)8(9)2/h6H,4-5,7H2,1-3H3,(H,16,20).
What are the key properties of 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione?
6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 296.76 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 106040810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).