6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine

C23H26FN5 — CID 133294503

IUPAC6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(N(C)C2CCN(c3ccc(F)cc3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H26FN5/c1-3-19-16-22(27-23(26-19)17-8-12-25-13-9-17)28(2)20-10-14-29(15-11-20)21-6-4-18(24)5-7-21/h4-9,12-13,16,20H,3,10-11,14-15H2,1-2H3
InChIKeyVYHKJOOFDBMXTC-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.35
Rot. Bonds5

About 6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine

6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133294503) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133294503
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(N(C)C2CCN(c3ccc(F)cc3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H26FN5/c1-3-19-16-22(27-23(26-19)17-8-12-25-13-9-17)28(2)20-10-14-29(15-11-20)21-6-4-18(24)5-7-21/h4-9,12-13,16,20H,3,10-11,14-15H2,1-2H3
InChIKeyVYHKJOOFDBMXTC-UHFFFAOYSA-N
XLogP4.35
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
Crozbaciclib
CID 129202507
Amprolium ion
CID 2178
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Jnj-38893777
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(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
Pik-iii
CID 67983123
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine (CID 133294503) is 6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(N(C)C2CCN(c3ccc(F)cc3)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is VYHKJOOFDBMXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-3-19-16-22(27-23(26-19)17-8-12-25-13-9-17)28(2)20-10-14-29(15-11-20)21-6-4-18(24)5-7-21/h4-9,12-13,16,20H,3,10-11,14-15H2,1-2H3.
What are the key properties of 6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine?
6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 391.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133294503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).