N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C21H19FN4S — CID 2575972

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccnc3)nc(N[C@H](C)c3ccc(F)cc3)c2c1C
InChIInChI=1S/C21H19FN4S/c1-12-14(3)27-21-18(12)20(24-13(2)15-6-8-17(22)9-7-15)25-19(26-21)16-5-4-10-23-11-16/h4-11,13H,1-3H3,(H,24,25,26)/t13-/m1/s1
InChIKeyXHQBVJXNXSXBSN-CYBMUJFWSA-N
MW378.48 g/mol
LogP5.68
Rot. Bonds4

About N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2575972) has the molecular formula C21H19FN4S and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2575972
Molecular FormulaC21H19FN4S
Molecular Weight378.48 g/mol
Exact Mass378.13
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccnc3)nc(N[C@H](C)c3ccc(F)cc3)c2c1C
InChIInChI=1S/C21H19FN4S/c1-12-14(3)27-21-18(12)20(24-13(2)15-6-8-17(22)9-7-15)25-19(26-21)16-5-4-10-23-11-16/h4-11,13H,1-3H3,(H,24,25,26)/t13-/m1/s1
InChIKeyXHQBVJXNXSXBSN-CYBMUJFWSA-N
XLogP5.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 4834425
N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 16553303
5,6-dimethyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 17481821
3-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 17410711
5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 7927705
5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 167805955
N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 4795424
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol
CID 166190654
5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 123514867
N-(4-fluorophenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71690988
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine
CID 86659381
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
CID 166237581

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 2575972) is N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3cccnc3)nc(N[C@H](C)c3ccc(F)cc3)c2c1C.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XHQBVJXNXSXBSN-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19FN4S/c1-12-14(3)27-21-18(12)20(24-13(2)15-6-8-17(22)9-7-15)25-19(26-21)16-5-4-10-23-11-16/h4-11,13H,1-3H3,(H,24,25,26)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2575972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).