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

C15H13ClFN3S — CID 93214219

IUPAC2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccccc3F)nc(Cl)nc2s1
InChIInChI=1S/C15H13ClFN3S/c1-2-10-7-11-13(19-15(16)20-14(11)21-10)18-8-9-5-3-4-6-12(9)17/h3-7H,2,8H2,1H3,(H,18,19,20)
InChIKeyBPAJYUAVVSCYKC-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.66
Rot. Bonds4

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

2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 93214219) has the molecular formula C15H13ClFN3S and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID93214219
Molecular FormulaC15H13ClFN3S
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccccc3F)nc(Cl)nc2s1
InChIInChI=1S/C15H13ClFN3S/c1-2-10-7-11-13(19-15(16)20-14(11)21-10)18-8-9-5-3-4-6-12(9)17/h3-7H,2,8H2,1H3,(H,18,19,20)
InChIKeyBPAJYUAVVSCYKC-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-ethyl-N-[(4-methylthiophen-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322136
2-chloro-6-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321311
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400
6-ethyl-2-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63614306
2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066429
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 18460510
2-chloro-N-(3-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 82066013
2-chloro-6-ethyl-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 106293411
2-chloro-6-ethyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18460434
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726
5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 104599790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 93214219) is 2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3ccccc3F)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BPAJYUAVVSCYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3S/c1-2-10-7-11-13(19-15(16)20-14(11)21-10)18-8-9-5-3-4-6-12(9)17/h3-7H,2,8H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 321.81 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 93214219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).