N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine

C22H23F2N5 — CID 112923475

IUPACN-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3cc(C)nc(Nc4ccc(F)c(F)c4)n3)CC2)c1
InChIInChI=1S/C22H23F2N5/c1-15-4-3-5-18(12-15)28-8-10-29(11-9-28)21-13-16(2)25-22(27-21)26-17-6-7-19(23)20(24)14-17/h3-7,12-14H,8-11H2,1-2H3,(H,25,26,27)
InChIKeyOFTYHBHNCJUYTE-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.44
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine

N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112923475) has the molecular formula C22H23F2N5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID112923475
Molecular FormulaC22H23F2N5
Molecular Weight395.46 g/mol
Exact Mass395.19
IUPAC NameN-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3cc(C)nc(Nc4ccc(F)c(F)c4)n3)CC2)c1
InChIInChI=1S/C22H23F2N5/c1-15-4-3-5-18(12-15)28-8-10-29(11-9-28)21-13-16(2)25-22(27-21)26-17-6-7-19(23)20(24)14-17/h3-7,12-14H,8-11H2,1-2H3,(H,25,26,27)
InChIKeyOFTYHBHNCJUYTE-UHFFFAOYSA-N
XLogP4.44
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3,4-difluoroanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914641
N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923455
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 112923615
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
N-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112922222
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898122
2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 62477783
3-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 44826889
N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909346
N-(3,4-dimethylphenyl)-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923972
N-(3,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950492
(3-fluorophenyl)-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047662

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine (CID 112923475) is N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine is Cc1cccc(N2CCN(c3cc(C)nc(Nc4ccc(F)c(F)c4)n3)CC2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is OFTYHBHNCJUYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5/c1-15-4-3-5-18(12-15)28-8-10-29(11-9-28)21-13-16(2)25-22(27-21)26-17-6-7-19(23)20(24)14-17/h3-7,12-14H,8-11H2,1-2H3,(H,25,26,27).
What are the key properties of N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 395.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112923475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).