N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine

C26H29F4N3O5 — CID 164908272

IUPACN,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2ncc(CC(F)(F)C(F)F)c(OC)n2)c(OC)c1
InChIInChI=1S/C26H29F4N3O5/c1-34-19-8-6-16(21(10-19)36-3)14-33(15-17-7-9-20(35-2)11-22(17)37-4)25-31-13-18(23(32-25)38-5)12-26(29,30)24(27)28/h6-11,13,24H,12,14-15H2,1-5H3
InChIKeyWTTHQKGKEPLDIJ-UHFFFAOYSA-N
MW539.53 g/mol
LogP5.17
Rot. Bonds13

About N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine

N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine (PubChem CID 164908272) has the molecular formula C26H29F4N3O5 and a molecular weight of 539.53 g/mol. Its IUPAC name is N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
PubChem CID164908272
Molecular FormulaC26H29F4N3O5
Molecular Weight539.53 g/mol
Exact Mass539.20
IUPAC NameN,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2ncc(CC(F)(F)C(F)F)c(OC)n2)c(OC)c1
InChIInChI=1S/C26H29F4N3O5/c1-34-19-8-6-16(21(10-19)36-3)14-33(15-17-7-9-20(35-2)11-22(17)37-4)25-31-13-18(23(32-25)38-5)12-26(29,30)24(27)28/h6-11,13,24H,12,14-15H2,1-5H3
InChIKeyWTTHQKGKEPLDIJ-UHFFFAOYSA-N
XLogP5.17
TPSA75.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine
CID 164908037
5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 164908203
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
CID 132937165
4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine
CID 164907972
1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine
CID 118869781
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513361
[6-[bis[(2,4-dimethoxyphenyl)methyl]amino]-8-methyl-1,5-naphthyridin-3-yl]boronic acid
CID 166460483
1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 172603943

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The IUPAC name of N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine (CID 164908272) is N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2OC)c2ncc(CC(F)(F)C(F)F)c(OC)n2)c(OC)c1.
What is the InChIKey of N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The InChIKey is WTTHQKGKEPLDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F4N3O5/c1-34-19-8-6-16(21(10-19)36-3)14-33(15-17-7-9-20(35-2)11-22(17)37-4)25-31-13-18(23(32-25)38-5)12-26(29,30)24(27)28/h6-11,13,24H,12,14-15H2,1-5H3.
What are the key properties of N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine has a molecular weight of 539.53 g/mol, XLogP of 5.17, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 164908272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).