N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C16H16FN3S — CID 4088848

IUPACN-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(F)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H16FN3S/c1-9-10(2)21-16-14(9)15(19-11(3)20-16)18-8-12-4-6-13(17)7-5-12/h4-7H,8H2,1-3H3,(H,18,19,20)
InChIKeyJHSPVLHGCUWFHF-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.37
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4088848) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4088848
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(F)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H16FN3S/c1-9-10(2)21-16-14(9)15(19-11(3)20-16)18-8-12-4-6-13(17)7-5-12/h4-7H,8H2,1-3H3,(H,18,19,20)
InChIKeyJHSPVLHGCUWFHF-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 4088848) is N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccc(F)cc2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JHSPVLHGCUWFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-9-10(2)21-16-14(9)15(19-11(3)20-16)18-8-12-4-6-13(17)7-5-12/h4-7H,8H2,1-3H3,(H,18,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4088848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).