N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine

C25H30F3N3O2Sn — CID 171756751

IUPACN,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C(F)(F)F)c([Sn](C)(C)C)n2)cc1
InChIInChI=1S/C22H21F3N3O2.3CH3.Sn/c1-15-20(22(23,24)25)12-26-21(27-15)28(13-16-4-8-18(29-2)9-5-16)14-17-6-10-19(30-3)11-7-17;;;;/h4-11H,13-14H2,1-3H3;3*1H3;
InChIKeyIVTRTOGNJSQSHD-UHFFFAOYSA-N
MW580.24 g/mol
LogP5.57
Rot. Bonds8

About N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine

N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine (PubChem CID 171756751) has the molecular formula C25H30F3N3O2Sn and a molecular weight of 580.24 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine
PubChem CID171756751
Molecular FormulaC25H30F3N3O2Sn
Molecular Weight580.24 g/mol
Exact Mass581.13
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C(F)(F)F)c([Sn](C)(C)C)n2)cc1
InChIInChI=1S/C22H21F3N3O2.3CH3.Sn/c1-15-20(22(23,24)25)12-26-21(27-15)28(13-16-4-8-18(29-2)9-5-16)14-17-6-10-19(30-3)11-7-17;;;;/h4-11H,13-14H2,1-3H3;3*1H3;
InChIKeyIVTRTOGNJSQSHD-UHFFFAOYSA-N
XLogP5.57
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.24
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
CID 170594396
CID 170594396
4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548209
3-bromo-2,6-difluoro-N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-4-(trifluoromethyl)aniline
CID 171756742
6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 172607469
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133384216
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
3-bromo-5-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 170907615
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
6-bromo-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 164875848
5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 164908191
3-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanenitrile
CID 172588417

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine (CID 171756751) is N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C(F)(F)F)c([Sn](C)(C)C)n2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine?
The InChIKey is IVTRTOGNJSQSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N3O2.3CH3.Sn/c1-15-20(22(23,24)25)12-26-21(27-15)28(13-16-4-8-18(29-2)9-5-16)14-17-6-10-19(30-3)11-7-17;;;;/h4-11H,13-14H2,1-3H3;3*1H3;.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine?
N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine has a molecular weight of 580.24 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine is sourced from PubChem (CID 171756751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).