4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine

C24H32N6O — CID 110266195

IUPAC4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCCn1ncc(CN2CCCC2c2nc(N(C)C)ncc2-c2cccc(OC)c2)c1C
InChIInChI=1S/C24H32N6O/c1-6-30-17(2)19(14-26-30)16-29-12-8-11-22(29)23-21(15-25-24(27-23)28(3)4)18-9-7-10-20(13-18)31-5/h7,9-10,13-15,22H,6,8,11-12,16H2,1-5H3
InChIKeyAOUVHOUOAYBQNM-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.08
Rot. Bonds7

About 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine

4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 110266195) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID110266195
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCCn1ncc(CN2CCCC2c2nc(N(C)C)ncc2-c2cccc(OC)c2)c1C
InChIInChI=1S/C24H32N6O/c1-6-30-17(2)19(14-26-30)16-29-12-8-11-22(29)23-21(15-25-24(27-23)28(3)4)18-9-7-10-20(13-18)31-5/h7,9-10,13-15,22H,6,8,11-12,16H2,1-5H3
InChIKeyAOUVHOUOAYBQNM-UHFFFAOYSA-N
XLogP4.08
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92616351
5-(3-methoxyphenyl)-N,N-dimethyl-4-[(2R)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 124951654
5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266595
4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266388
(2S)-2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 92616194
4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92615311
2-cyclohexyl-1-[2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110266059
1-[2-[(2R)-2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 92616363
4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
CID 99946184
4-[(2S)-1-benzylpyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836542
4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
CID 92563624
[(2S)-2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 92616263

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine (CID 110266195) is 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine is CCn1ncc(CN2CCCC2c2nc(N(C)C)ncc2-c2cccc(OC)c2)c1C.
What is the InChIKey of 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is AOUVHOUOAYBQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-6-30-17(2)19(14-26-30)16-29-12-8-11-22(29)23-21(15-25-24(27-23)28(3)4)18-9-7-10-20(13-18)31-5/h7,9-10,13-15,22H,6,8,11-12,16H2,1-5H3.
What are the key properties of 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine?
4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 420.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 110266195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).