N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine

C14H11F2N3OS — CID 17393154

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(CNc2ncnc3sccc23)cc1
InChIInChI=1S/C14H11F2N3OS/c15-14(16)20-10-3-1-9(2-4-10)7-17-12-11-5-6-21-13(11)19-8-18-12/h1-6,8,14H,7H2,(H,17,18,19)
InChIKeyOZDWWZSNFXKRPU-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.90
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine

N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 17393154) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID17393154
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(CNc2ncnc3sccc23)cc1
InChIInChI=1S/C14H11F2N3OS/c15-14(16)20-10-3-1-9(2-4-10)7-17-12-11-5-6-21-13(11)19-8-18-12/h1-6,8,14H,7H2,(H,17,18,19)
InChIKeyOZDWWZSNFXKRPU-UHFFFAOYSA-N
XLogP3.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine
CID 100938418
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 49430878
N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60730692
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18133994
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31618595
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-(2-methoxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 115658497
N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine
CID 106486840

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 17393154) is N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine is FC(F)Oc1ccc(CNc2ncnc3sccc23)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OZDWWZSNFXKRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c15-14(16)20-10-3-1-9(2-4-10)7-17-12-11-5-6-21-13(11)19-8-18-12/h1-6,8,14H,7H2,(H,17,18,19).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 17393154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).