2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine

C20H25F2N5 — CID 119071379

IUPAC2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(N2CCC3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)n1
InChIInChI=1S/C20H25F2N5/c1-23-18-5-8-24-19(25-18)27-10-7-20(14-27)6-2-9-26(13-20)12-15-3-4-16(21)17(22)11-15/h3-5,8,11H,2,6-7,9-10,12-14H2,1H3,(H,23,24,25)
InChIKeyRRYZUYQPNVWNLY-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.29
Rot. Bonds4

About 2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine

2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine (PubChem CID 119071379) has the molecular formula C20H25F2N5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine
PubChem CID119071379
Molecular FormulaC20H25F2N5
Molecular Weight373.45 g/mol
Exact Mass373.21
IUPAC Name2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(N2CCC3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)n1
InChIInChI=1S/C20H25F2N5/c1-23-18-5-8-24-19(25-18)27-10-7-20(14-27)6-2-9-26(13-20)12-15-3-4-16(21)17(22)11-15/h3-5,8,11H,2,6-7,9-10,12-14H2,1H3,(H,23,24,25)
InChIKeyRRYZUYQPNVWNLY-UHFFFAOYSA-N
XLogP3.29
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine (CID 119071379) is 2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine is CNc1ccnc(N2CCC3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)n1.
What is the InChIKey of 2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine?
The InChIKey is RRYZUYQPNVWNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5/c1-23-18-5-8-24-19(25-18)27-10-7-20(14-27)6-2-9-26(13-20)12-15-3-4-16(21)17(22)11-15/h3-5,8,11H,2,6-7,9-10,12-14H2,1H3,(H,23,24,25).
What are the key properties of 2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine?
2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine has a molecular weight of 373.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 119071379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).