4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine

C23H29FN6 — CID 110266401

IUPAC4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCCn1cc(CN2CCCCC2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H29FN6/c1-4-30-16-17(13-26-30)15-29-12-6-5-7-21(29)22-20(14-25-23(27-22)28(2)3)18-8-10-19(24)11-9-18/h8-11,13-14,16,21H,4-7,12,15H2,1-3H3
InChIKeyLYCOJLVQYHNQEK-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.29
Rot. Bonds6

About 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine

4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 110266401) has the molecular formula C23H29FN6 and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID110266401
Molecular FormulaC23H29FN6
Molecular Weight408.53 g/mol
Exact Mass408.24
IUPAC Name4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCCn1cc(CN2CCCCC2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H29FN6/c1-4-30-16-17(13-26-30)15-29-12-6-5-7-21(29)22-20(14-25-23(27-22)28(2)3)18-8-10-19(24)11-9-18/h8-11,13-14,16,21H,4-7,12,15H2,1-3H3
InChIKeyLYCOJLVQYHNQEK-UHFFFAOYSA-N
XLogP4.29
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92617762
4-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N,N-dimethyl-5-phenylpyrimidin-2-amine
CID 92616640
5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 110266191
3-[2-(dimethylamino)-4-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 110266291
4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266388
5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 92617678
4-[(2S)-1-benzylpyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836542
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 155983127
2-cyclopentyl-1-[(2S)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92617854
1-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110266304
[(2R)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 92617769
4-[(2S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92616351

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine (CID 110266401) is 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine is CCn1cc(CN2CCCCC2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cn1.
What is the InChIKey of 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is LYCOJLVQYHNQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6/c1-4-30-16-17(13-26-30)15-29-12-6-5-7-21(29)22-20(14-25-23(27-22)28(2)3)18-8-10-19(24)11-9-18/h8-11,13-14,16,21H,4-7,12,15H2,1-3H3.
What are the key properties of 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 408.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 110266401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).