4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine

C28H28F2N8 — CID 146878132

IUPAC4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine
SMILESFc1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5ccc6c(c5)CCCC6)n4)CC3)nc2)c(F)c1
InChIInChI=1S/C28H28F2N8/c29-23-7-5-22(25(30)15-23)13-19-16-31-27(32-17-19)37-9-11-38(12-10-37)28-34-18-33-26(36-28)35-24-8-6-20-3-1-2-4-21(20)14-24/h5-8,14-18H,1-4,9-13H2,(H,33,34,35,36)
InChIKeySRAFZCSTPWRBAK-UHFFFAOYSA-N
MW514.58 g/mol
LogP4.48
Rot. Bonds6

About 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine

4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine (PubChem CID 146878132) has the molecular formula C28H28F2N8 and a molecular weight of 514.58 g/mol. Its IUPAC name is 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine
PubChem CID146878132
Molecular FormulaC28H28F2N8
Molecular Weight514.58 g/mol
Exact Mass514.24
IUPAC Name4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine
SMILESFc1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5ccc6c(c5)CCCC6)n4)CC3)nc2)c(F)c1
InChIInChI=1S/C28H28F2N8/c29-23-7-5-22(25(30)15-23)13-19-16-31-27(32-17-19)37-9-11-38(12-10-37)28-34-18-33-26(36-28)35-24-8-6-20-3-1-2-4-21(20)14-24/h5-8,14-18H,1-4,9-13H2,(H,33,34,35,36)
InChIKeySRAFZCSTPWRBAK-UHFFFAOYSA-N
XLogP4.48
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine (CID 146878132) is 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine is Fc1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5ccc6c(c5)CCCC6)n4)CC3)nc2)c(F)c1.
What is the InChIKey of 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is SRAFZCSTPWRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N8/c29-23-7-5-22(25(30)15-23)13-19-16-31-27(32-17-19)37-9-11-38(12-10-37)28-34-18-33-26(36-28)35-24-8-6-20-3-1-2-4-21(20)14-24/h5-8,14-18H,1-4,9-13H2,(H,33,34,35,36).
What are the key properties of 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine?
4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 514.58 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(2,4-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 146878132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).