N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine

C22H22F2N4 — CID 24937597

IUPACN-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCc1cc(-c2ccc(F)cc2F)ccc1NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22F2N4/c1-15-13-16(19-5-4-17(23)14-20(19)24)3-6-21(15)27-18-7-11-28(12-8-18)22-25-9-2-10-26-22/h2-6,9-10,13-14,18,27H,7-8,11-12H2,1H3
InChIKeyBARFLSGWZIKTOQ-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.81
Rot. Bonds4

About N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 24937597) has the molecular formula C22H22F2N4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID24937597
Molecular FormulaC22H22F2N4
Molecular Weight380.44 g/mol
Exact Mass380.18
IUPAC NameN-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCc1cc(-c2ccc(F)cc2F)ccc1NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22F2N4/c1-15-13-16(19-5-4-17(23)14-20(19)24)3-6-21(15)27-18-7-11-28(12-8-18)22-25-9-2-10-26-22/h2-6,9-10,13-14,18,27H,7-8,11-12H2,1H3
InChIKeyBARFLSGWZIKTOQ-UHFFFAOYSA-N
XLogP4.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 24937597) is N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine is Cc1cc(-c2ccc(F)cc2F)ccc1NC1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is BARFLSGWZIKTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4/c1-15-13-16(19-5-4-17(23)14-20(19)24)3-6-21(15)27-18-7-11-28(12-8-18)22-25-9-2-10-26-22/h2-6,9-10,13-14,18,27H,7-8,11-12H2,1H3.
What are the key properties of N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 380.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-2-methylphenyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 24937597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).