4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine

C15H13ClFN3S — CID 95507149

IUPAC4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Cl)c2c(-c3ccc(F)cc3)c(C)sc2n1
InChIInChI=1S/C15H13ClFN3S/c1-3-18-15-19-13(16)12-11(8(2)21-14(12)20-15)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyNEXRSVNRLPJWSF-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.89
Rot. Bonds3

About 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine

4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 95507149) has the molecular formula C15H13ClFN3S and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID95507149
Molecular FormulaC15H13ClFN3S
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Cl)c2c(-c3ccc(F)cc3)c(C)sc2n1
InChIInChI=1S/C15H13ClFN3S/c1-3-18-15-19-13(16)12-11(8(2)21-14(12)20-15)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyNEXRSVNRLPJWSF-UHFFFAOYSA-N
XLogP4.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate
CID 87519217
2-chloro-5-(4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 93214424
4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 95507005
2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 167813649
4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
CID 95507132
4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
CID 82309519
2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868501
N-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28695559
4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine
CID 82309500
N-tert-butyl-2-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 7599166
5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 52553850
4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine
CID 79437703

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 95507149) is 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Cl)c2c(-c3ccc(F)cc3)c(C)sc2n1.
What is the InChIKey of 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is NEXRSVNRLPJWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3S/c1-3-18-15-19-13(16)12-11(8(2)21-14(12)20-15)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 321.81 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 95507149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).