4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C14H12ClFN4S — CID 103330625

IUPAC4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2c(F)cccc2Cl)c2cc(C)sc2n1
InChIInChI=1S/C14H12ClFN4S/c1-7-6-8-12(19-14(17-2)20-13(8)21-7)18-11-9(15)4-3-5-10(11)16/h3-6H,1-2H3,(H2,17,18,19,20)
InChIKeyBAKAANARGJEEQV-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.58
Rot. Bonds3

About 4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330625) has the molecular formula C14H12ClFN4S and a molecular weight of 322.80 g/mol. Its IUPAC name is 4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330625
Molecular FormulaC14H12ClFN4S
Molecular Weight322.80 g/mol
Exact Mass322.05
IUPAC Name4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2c(F)cccc2Cl)c2cc(C)sc2n1
InChIInChI=1S/C14H12ClFN4S/c1-7-6-8-12(19-14(17-2)20-13(8)21-7)18-11-9(15)4-3-5-10(11)16/h3-6H,1-2H3,(H2,17,18,19,20)
InChIKeyBAKAANARGJEEQV-UHFFFAOYSA-N
XLogP4.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330619
4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323316
4-N-(4-bromo-2-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323386
4-N-(2-bromo-3-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329297
4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323324
2-N,6-dimethyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325220
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327759
N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334287
4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
CID 63614541
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330803

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103330625) is 4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2c(F)cccc2Cl)c2cc(C)sc2n1.
What is the InChIKey of 4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BAKAANARGJEEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4S/c1-7-6-8-12(19-14(17-2)20-13(8)21-7)18-11-9(15)4-3-5-10(11)16/h3-6H,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 322.80 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).