3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide

C19H22N6O2 — CID 119074593

IUPAC3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCCN(CCn1cccn1)C(=O)c1cccc(-c2cc(OC)nc(N)n2)c1
InChIInChI=1S/C19H22N6O2/c1-3-24(10-11-25-9-5-8-21-25)18(26)15-7-4-6-14(12-15)16-13-17(27-2)23-19(20)22-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,20,22,23)
InChIKeyABLRVQLAPAPVQP-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.09
Rot. Bonds7

About 3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide

3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 119074593) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID119074593
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCCN(CCn1cccn1)C(=O)c1cccc(-c2cc(OC)nc(N)n2)c1
InChIInChI=1S/C19H22N6O2/c1-3-24(10-11-25-9-5-8-21-25)18(26)15-7-4-6-14(12-15)16-13-17(27-2)23-19(20)22-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,20,22,23)
InChIKeyABLRVQLAPAPVQP-UHFFFAOYSA-N
XLogP2.09
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 74233483
N-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 91771673
N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide
CID 163308243
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 56865921
N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide
CID 91782708
N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide
CID 131925005
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide
CID 118765988
3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide
CID 69014106
4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine
CID 122560088
3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 122560261
3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
CID 119062713

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide (CID 119074593) is 3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide is CCN(CCn1cccn1)C(=O)c1cccc(-c2cc(OC)nc(N)n2)c1.
What is the InChIKey of 3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is ABLRVQLAPAPVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-24(10-11-25-9-5-8-21-25)18(26)15-7-4-6-14(12-15)16-13-17(27-2)23-19(20)22-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,20,22,23).
What are the key properties of 3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide?
3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 366.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-methoxypyrimidin-4-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 119074593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).