5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine

C24H27F2N3O5 — CID 164908191

IUPAC5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(OC)c(OCC(F)F)c(OC)n2)cc1
InChIInChI=1S/C24H27F2N3O5/c1-30-18-9-5-16(6-10-18)13-29(14-17-7-11-19(31-2)12-8-17)24-27-22(32-3)21(23(28-24)33-4)34-15-20(25)26/h5-12,20H,13-15H2,1-4H3
InChIKeyMOALBFRWYZZVCE-UHFFFAOYSA-N
MW475.49 g/mol
LogP4.36
Rot. Bonds12

About 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine

5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 164908191) has the molecular formula C24H27F2N3O5 and a molecular weight of 475.49 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID164908191
Molecular FormulaC24H27F2N3O5
Molecular Weight475.49 g/mol
Exact Mass475.19
IUPAC Name5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(OC)c(OCC(F)F)c(OC)n2)cc1
InChIInChI=1S/C24H27F2N3O5/c1-30-18-9-5-16(6-10-18)13-29(14-17-7-11-19(31-2)12-8-17)24-27-22(32-3)21(23(28-24)33-4)34-15-20(25)26/h5-12,20H,13-15H2,1-4H3
InChIKeyMOALBFRWYZZVCE-UHFFFAOYSA-N
XLogP4.36
TPSA75.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 164908203
6-chloro-5-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 170733731
4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine
CID 164907972
4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 177249845
4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548209
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170357019
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine
CID 171756751
5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 164907964

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine (CID 164908191) is 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(OC)c(OCC(F)F)c(OC)n2)cc1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is MOALBFRWYZZVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O5/c1-30-18-9-5-16(6-10-18)13-29(14-17-7-11-19(31-2)12-8-17)24-27-22(32-3)21(23(28-24)33-4)34-15-20(25)26/h5-12,20H,13-15H2,1-4H3.
What are the key properties of 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 475.49 g/mol, XLogP of 4.36, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 164908191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).