[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone

C18H26N6O — CID 118740247

IUPAC[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCCC2(C)c2nc(C)cc(N(C)C)n2)n1
InChIInChI=1S/C18H26N6O/c1-6-23-11-8-14(21-23)16(25)24-10-7-9-18(24,3)17-19-13(2)12-15(20-17)22(4)5/h8,11-12H,6-7,9-10H2,1-5H3
InChIKeyKUPHAIAKRNHBBJ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.22
Rot. Bonds4

About [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone

[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone (PubChem CID 118740247) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
PubChem CID118740247
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCCC2(C)c2nc(C)cc(N(C)C)n2)n1
InChIInChI=1S/C18H26N6O/c1-6-23-11-8-14(21-23)16(25)24-10-7-9-18(24,3)17-19-13(2)12-15(20-17)22(4)5/h8,11-12H,6-7,9-10H2,1-5H3
InChIKeyKUPHAIAKRNHBBJ-UHFFFAOYSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 165130041
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
CID 28785555
(4-Methylpyrimidin-5-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53561207
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53568140
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53588821
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 53599381
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779749
(2-Methylpyrimidin-4-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72123685

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone (CID 118740247) is [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone is CCn1ccc(C(=O)N2CCCC2(C)c2nc(C)cc(N(C)C)n2)n1.
What is the InChIKey of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is KUPHAIAKRNHBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-6-23-11-8-14(21-23)16(25)24-10-7-9-18(24,3)17-19-13(2)12-15(20-17)22(4)5/h8,11-12H,6-7,9-10H2,1-5H3.
What are the key properties of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 342.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 118740247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).