6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione

C12H17N5O2 — CID 134704975

IUPAC6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione
SMILESCCN(CCn1cccn1)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N5O2/c1-2-16(6-7-17-5-3-4-13-17)9-10-8-11(18)15-12(19)14-10/h3-5,8H,2,6-7,9H2,1H3,(H2,14,15,18,19)
InChIKeyQMGSAOPYIABALW-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.22
Rot. Bonds6

About 6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione

6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 134704975) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione
PubChem CID134704975
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione
SMILESCCN(CCn1cccn1)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N5O2/c1-2-16(6-7-17-5-3-4-13-17)9-10-8-11(18)15-12(19)14-10/h3-5,8H,2,6-7,9H2,1H3,(H2,14,15,18,19)
InChIKeyQMGSAOPYIABALW-UHFFFAOYSA-N
XLogP-0.22
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione (CID 134704975) is 6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione is CCN(CCn1cccn1)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QMGSAOPYIABALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-16(6-7-17-5-3-4-13-17)9-10-8-11(18)15-12(19)14-10/h3-5,8H,2,6-7,9H2,1H3,(H2,14,15,18,19).
What are the key properties of 6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione?
6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 134704975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).