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

C23H29FN6 — CID 92618206

IUPAC4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCc1c(CN2CCC(c3nc(N(C)C)ncc3-c3ccccc3F)CC2)cnn1C
InChIInChI=1S/C23H29FN6/c1-16-18(13-26-29(16)4)15-30-11-9-17(10-12-30)22-20(14-25-23(27-22)28(2)3)19-7-5-6-8-21(19)24/h5-8,13-14,17H,9-12,15H2,1-4H3
InChIKeyYNHBKQIXKXZXKA-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.77
Rot. Bonds5

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

4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 92618206) has the molecular formula C23H29FN6 and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID92618206
Molecular FormulaC23H29FN6
Molecular Weight408.53 g/mol
Exact Mass408.24
IUPAC Name4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCc1c(CN2CCC(c3nc(N(C)C)ncc3-c3ccccc3F)CC2)cnn1C
InChIInChI=1S/C23H29FN6/c1-16-18(13-26-29(16)4)15-30-11-9-17(10-12-30)22-20(14-25-23(27-22)28(2)3)19-7-5-6-8-21(19)24/h5-8,13-14,17H,9-12,15H2,1-4H3
InChIKeyYNHBKQIXKXZXKA-UHFFFAOYSA-N
XLogP3.77
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine (CID 92618206) is 4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine is Cc1c(CN2CCC(c3nc(N(C)C)ncc3-c3ccccc3F)CC2)cnn1C.
What is the InChIKey of 4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is YNHBKQIXKXZXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6/c1-16-18(13-26-29(16)4)15-30-11-9-17(10-12-30)22-20(14-25-23(27-22)28(2)3)19-7-5-6-8-21(19)24/h5-8,13-14,17H,9-12,15H2,1-4H3.
What are the key properties of 4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 408.53 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 92618206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).