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

C22H23F2N5 — CID 112898325

IUPACN-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3ccnc(Nc4c(F)cccc4F)n3)CC2)c1C
InChIInChI=1S/C22H23F2N5/c1-15-5-3-8-19(16(15)2)28-11-13-29(14-12-28)20-9-10-25-22(26-20)27-21-17(23)6-4-7-18(21)24/h3-10H,11-14H2,1-2H3,(H,25,26,27)
InChIKeyYTKHWNGHPOGWPR-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.44
Rot. Bonds4

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

N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112898325) has the molecular formula C22H23F2N5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID112898325
Molecular FormulaC22H23F2N5
Molecular Weight395.46 g/mol
Exact Mass395.19
IUPAC NameN-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3ccnc(Nc4c(F)cccc4F)n3)CC2)c1C
InChIInChI=1S/C22H23F2N5/c1-15-5-3-8-19(16(15)2)28-11-13-29(14-12-28)20-9-10-25-22(26-20)27-21-17(23)6-4-7-18(21)24/h3-10H,11-14H2,1-2H3,(H,25,26,27)
InChIKeyYTKHWNGHPOGWPR-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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine (CID 112898325) is N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine is Cc1cccc(N2CCN(c3ccnc(Nc4c(F)cccc4F)n3)CC2)c1C.
What is the InChIKey of N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is YTKHWNGHPOGWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5/c1-15-5-3-8-19(16(15)2)28-11-13-29(14-12-28)20-9-10-25-22(26-20)27-21-17(23)6-4-7-18(21)24/h3-10H,11-14H2,1-2H3,(H,25,26,27).
What are the key properties of N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine?
N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)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-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112898325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).