6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine

C11H13F3N4S — CID 103329359

IUPAC6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NCCCC(F)(F)F)nc(N)nc2s1
InChIInChI=1S/C11H13F3N4S/c1-6-5-7-8(16-4-2-3-11(12,13)14)17-10(15)18-9(7)19-6/h5H,2-4H2,1H3,(H3,15,16,17,18)
InChIKeyHSHKWYFYOIOVPC-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.34
Rot. Bonds4

About 6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine

6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329359) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is 6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329359
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC Name6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NCCCC(F)(F)F)nc(N)nc2s1
InChIInChI=1S/C11H13F3N4S/c1-6-5-7-8(16-4-2-3-11(12,13)14)17-10(15)18-9(7)19-6/h5H,2-4H2,1H3,(H3,15,16,17,18)
InChIKeyHSHKWYFYOIOVPC-UHFFFAOYSA-N
XLogP3.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326737
3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179348
6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333279
6-methyl-4-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325333
6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330600
6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324377
6-methyl-4-N-(2-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325996
6-methyl-4-N-[(4-methylcyclohexyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327663
6-methyl-4-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325324
4-N-(1-methoxy-2-methylpropan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330005
2-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103328656
[6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79964166

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329359) is 6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(NCCCC(F)(F)F)nc(N)nc2s1.
What is the InChIKey of 6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HSHKWYFYOIOVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-6-5-7-8(16-4-2-3-11(12,13)14)17-10(15)18-9(7)19-6/h5H,2-4H2,1H3,(H3,15,16,17,18).
What are the key properties of 6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).