3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione

C10H12N4O2 — CID 107104005

IUPAC3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1nccc1CCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-13-8(2-6-12-13)4-7-14-9(15)3-5-11-10(14)16/h2-3,5-6H,4,7H2,1H3,(H,11,16)
InChIKeyHAFUHEXCKISRQQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.49
Rot. Bonds3

About 3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione

3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 107104005) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID107104005
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1nccc1CCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-13-8(2-6-12-13)4-7-14-9(15)3-5-11-10(14)16/h2-3,5-6H,4,7H2,1H3,(H,11,16)
InChIKeyHAFUHEXCKISRQQ-UHFFFAOYSA-N
XLogP-0.49
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
CID 87497402
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one
CID 103015554
3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one
CID 103015543
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
4-(2-methylpyrazol-3-yl)butanal
CID 103014880
5-iodo-3-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazol-2-one
CID 103019428
6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 103013478
1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one
CID 103012757
3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107103922
1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 103008252
3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid
CID 54516772
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione (CID 107104005) is 3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione is Cn1nccc1CCn1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HAFUHEXCKISRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-13-8(2-6-12-13)4-7-14-9(15)3-5-11-10(14)16/h2-3,5-6H,4,7H2,1H3,(H,11,16).
What are the key properties of 3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione?
3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107104005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).