4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine

C21H25F2N5OS — CID 170372930

IUPAC4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(F)(F)c1ccccc1CNc1nc(NCCN2CCOCC2)nc2ccsc12
InChIInChI=1S/C21H25F2N5OS/c1-21(22,23)16-5-3-2-4-15(16)14-25-19-18-17(6-13-30-18)26-20(27-19)24-7-8-28-9-11-29-12-10-28/h2-6,13H,7-12,14H2,1H3,(H2,24,25,26,27)
InChIKeyUBUHFZRWLDCCNW-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.16
Rot. Bonds8

About 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 170372930) has the molecular formula C21H25F2N5OS and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID170372930
Molecular FormulaC21H25F2N5OS
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(F)(F)c1ccccc1CNc1nc(NCCN2CCOCC2)nc2ccsc12
InChIInChI=1S/C21H25F2N5OS/c1-21(22,23)16-5-3-2-4-15(16)14-25-19-18-17(6-13-30-18)26-20(27-19)24-7-8-28-9-11-29-12-10-28/h2-6,13H,7-12,14H2,1H3,(H2,24,25,26,27)
InChIKeyUBUHFZRWLDCCNW-UHFFFAOYSA-N
XLogP4.16
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 146234492
2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 135240154
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine
CID 133359416
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750421
4-N-[(2-methoxyphenyl)methyl]-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913289
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780
N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366070
2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine
CID 170560487
3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945086
6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117091551
4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887514
6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 1254574

Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 170372930) is 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine is CC(F)(F)c1ccccc1CNc1nc(NCCN2CCOCC2)nc2ccsc12.
What is the InChIKey of 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is UBUHFZRWLDCCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5OS/c1-21(22,23)16-5-3-2-4-15(16)14-25-19-18-17(6-13-30-18)26-20(27-19)24-7-8-28-9-11-29-12-10-28/h2-6,13H,7-12,14H2,1H3,(H2,24,25,26,27).
What are the key properties of 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 433.53 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 170372930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).