N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine

C12H13F4N3OS — CID 103331237

IUPACN-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(OCC(F)(F)C(F)F)c2ccsc2n1
InChIInChI=1S/C12H13F4N3OS/c1-2-4-17-11-18-8(7-3-5-21-9(7)19-11)20-6-12(15,16)10(13)14/h3,5,10H,2,4,6H2,1H3,(H,17,18,19)
InChIKeyZNDDPJJGJKQAIN-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.79
Rot. Bonds7

About N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine

N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331237) has the molecular formula C12H13F4N3OS and a molecular weight of 323.32 g/mol. Its IUPAC name is N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103331237
Molecular FormulaC12H13F4N3OS
Molecular Weight323.32 g/mol
Exact Mass323.07
IUPAC NameN-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(OCC(F)(F)C(F)F)c2ccsc2n1
InChIInChI=1S/C12H13F4N3OS/c1-2-4-17-11-18-8(7-3-5-21-9(7)19-11)20-6-12(15,16)10(13)14/h3,5,10H,2,4,6H2,1H3,(H,17,18,19)
InChIKeyZNDDPJJGJKQAIN-UHFFFAOYSA-N
XLogP3.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 80868216
4-(cyclopentylmethoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332973
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333001
N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333321
4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331849
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646
2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106296189
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352
4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329999
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103331237) is N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine is CCCNc1nc(OCC(F)(F)C(F)F)c2ccsc2n1.
What is the InChIKey of N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ZNDDPJJGJKQAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3OS/c1-2-4-17-11-18-8(7-3-5-21-9(7)19-11)20-6-12(15,16)10(13)14/h3,5,10H,2,4,6H2,1H3,(H,17,18,19).
What are the key properties of N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 323.32 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).