N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C17H17F2N3O2S — CID 133409132

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ncnc3sc(C)cc23)cc1OC(F)F
InChIInChI=1S/C17H17F2N3O2S/c1-10-6-12-15(20-9-21-16(12)25-10)22(2)8-11-4-5-13(23-3)14(7-11)24-17(18)19/h4-7,9,17H,8H2,1-3H3
InChIKeyLIJKQIQNLVPSML-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.25
Rot. Bonds6

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133409132) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133409132
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ncnc3sc(C)cc23)cc1OC(F)F
InChIInChI=1S/C17H17F2N3O2S/c1-10-6-12-15(20-9-21-16(12)25-10)22(2)8-11-4-5-13(23-3)14(7-11)24-17(18)19/h4-7,9,17H,8H2,1-3H3
InChIKeyLIJKQIQNLVPSML-UHFFFAOYSA-N
XLogP4.25
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 63617064
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111051766
N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 2972044
N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine
CID 63618416
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 70771413
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 36832499
(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
CID 119285861
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 171324276
6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 46362708
3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide
CID 55911154
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
CID 64866198

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 133409132) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CN(C)c2ncnc3sc(C)cc23)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LIJKQIQNLVPSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c1-10-6-12-15(20-9-21-16(12)25-10)22(2)8-11-4-5-13(23-3)14(7-11)24-17(18)19/h4-7,9,17H,8H2,1-3H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 365.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133409132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).