4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one

C10H13N5O — CID 63973200

IUPAC4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2ncccn2)C(=O)C1CCN
InChIInChI=1S/C10H13N5O/c1-7-8(3-4-11)9(16)15(14-7)10-12-5-2-6-13-10/h2,5-6,8H,3-4,11H2,1H3
InChIKeyIVHGOVHGJNPOHF-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.16
Rot. Bonds3

About 4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one

4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (PubChem CID 63973200) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one
PubChem CID63973200
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2ncccn2)C(=O)C1CCN
InChIInChI=1S/C10H13N5O/c1-7-8(3-4-11)9(16)15(14-7)10-12-5-2-6-13-10/h2,5-6,8H,3-4,11H2,1H3
InChIKeyIVHGOVHGJNPOHF-UHFFFAOYSA-N
XLogP0.16
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminopropyl)-5-tert-butyl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 63971272
5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 62916033
4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one
CID 81041179
4-(3-aminopropyl)-2-(2-fluorophenyl)-5-methyl-4H-pyrazol-3-one
CID 63972425
4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one
CID 63973008
4-(3-aminopropyl)-2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
CID 63971655
4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822670
4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 63972233
4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one
CID 79219342
ethyl 3-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)propanoate
CID 103293771
4-(aminomethyl)-2-(2-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 79219836
5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one
CID 21274513

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (CID 63973200) is 4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one is CC1=NN(c2ncccn2)C(=O)C1CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one?
The InChIKey is IVHGOVHGJNPOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-8(3-4-11)9(16)15(14-7)10-12-5-2-6-13-10/h2,5-6,8H,3-4,11H2,1H3.
What are the key properties of 4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one?
4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one has a molecular weight of 219.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 63973200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).