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

C10H8F5N3OS — CID 103333001

IUPACN-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OCC(F)(F)C(F)(F)F)c2ccsc2n1
InChIInChI=1S/C10H8F5N3OS/c1-16-8-17-6(5-2-3-20-7(5)18-8)19-4-9(11,12)10(13,14)15/h2-3H,4H2,1H3,(H,16,17,18)
InChIKeyYGHNBICUYLWYKK-UHFFFAOYSA-N
MW313.25 g/mol
LogP3.31
Rot. Bonds4

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

N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333001) has the molecular formula C10H8F5N3OS and a molecular weight of 313.25 g/mol. Its IUPAC name is N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103333001
Molecular FormulaC10H8F5N3OS
Molecular Weight313.25 g/mol
Exact Mass313.03
IUPAC NameN-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OCC(F)(F)C(F)(F)F)c2ccsc2n1
InChIInChI=1S/C10H8F5N3OS/c1-16-8-17-6(5-2-3-20-7(5)18-8)19-4-9(11,12)10(13,14)15/h2-3H,4H2,1H3,(H,16,17,18)
InChIKeyYGHNBICUYLWYKK-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]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

N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103331220
N-methyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
CID 103331246
4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332489
N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331237
N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333321
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516
4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 106795448
[2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]methanol
CID 103332566
(4-butoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336122
[4-(2-methoxyethoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336076
4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333385
4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332016

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103333001) is N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine is CNc1nc(OCC(F)(F)C(F)(F)F)c2ccsc2n1.
What is the InChIKey of N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is YGHNBICUYLWYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N3OS/c1-16-8-17-6(5-2-3-20-7(5)18-8)19-4-9(11,12)10(13,14)15/h2-3H,4H2,1H3,(H,16,17,18).
What are the key properties of N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 313.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).