2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine

C15H23N5O — CID 65198270

IUPAC2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(C)nc(-c2cnn(C)c2)nc1C
InChIInChI=1S/C15H23N5O/c1-11-14(5-6-16-7-8-21-4)12(2)19-15(18-11)13-9-17-20(3)10-13/h9-10,16H,5-8H2,1-4H3
InChIKeyJBFKTFYZAZEZDS-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.27
Rot. Bonds7

About 2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine

2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 65198270) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID65198270
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(C)nc(-c2cnn(C)c2)nc1C
InChIInChI=1S/C15H23N5O/c1-11-14(5-6-16-7-8-21-4)12(2)19-15(18-11)13-9-17-20(3)10-13/h9-10,16H,5-8H2,1-4H3
InChIKeyJBFKTFYZAZEZDS-UHFFFAOYSA-N
XLogP1.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 65198217
3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine
CID 65197742
2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine
CID 62744609
2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62746727
2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 65334731
2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 65329014
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 65197799
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116793712
methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate
CID 58291728

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine (CID 65198270) is 2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine is COCCNCCc1c(C)nc(-c2cnn(C)c2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is JBFKTFYZAZEZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-14(5-6-16-7-8-21-4)12(2)19-15(18-11)13-9-17-20(3)10-13/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 65198270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).