6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine

C23H26FN5 — CID 86342240

IUPAC6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(C3CCCN(Cc4ccc(F)cc4)C3)nc(C)n2)c1
InChIInChI=1S/C23H26FN5/c1-16-9-10-25-22(12-16)28-23-13-21(26-17(2)27-23)19-4-3-11-29(15-19)14-18-5-7-20(24)8-6-18/h5-10,12-13,19H,3-4,11,14-15H2,1-2H3,(H,25,26,27,28)
InChIKeyKVRNXLQASGUNLM-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.75
Rot. Bonds5

About 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine

6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 86342240) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID86342240
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(C3CCCN(Cc4ccc(F)cc4)C3)nc(C)n2)c1
InChIInChI=1S/C23H26FN5/c1-16-9-10-25-22(12-16)28-23-13-21(26-17(2)27-23)19-4-3-11-29(15-19)14-18-5-7-20(24)8-6-18/h5-10,12-13,19H,3-4,11,14-15H2,1-2H3,(H,25,26,27,28)
InChIKeyKVRNXLQASGUNLM-UHFFFAOYSA-N
XLogP4.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine with MolForge

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Related Compounds

6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 86342130
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124961678
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine
CID 124989953
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine
CID 124968077
2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124949798
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 125026546
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765779
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine
CID 86342169
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122350473
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine (CID 86342240) is 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine is Cc1ccnc(Nc2cc(C3CCCN(Cc4ccc(F)cc4)C3)nc(C)n2)c1.
What is the InChIKey of 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is KVRNXLQASGUNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-16-9-10-25-22(12-16)28-23-13-21(26-17(2)27-23)19-4-3-11-29(15-19)14-18-5-7-20(24)8-6-18/h5-10,12-13,19H,3-4,11,14-15H2,1-2H3,(H,25,26,27,28).
What are the key properties of 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 391.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 86342240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).