N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

C17H13FN4OS — CID 18460172

IUPACN-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccc(F)cc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C17H13FN4OS/c1-10-8-13-15(19-9-11-2-4-12(18)5-3-11)21-16(22-17(13)24-10)14-6-7-20-23-14/h2-8H,9H2,1H3,(H,19,21,22)
InChIKeyVJZCBROGONFHRD-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.41
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460172) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460172
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccc(F)cc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C17H13FN4OS/c1-10-8-13-15(19-9-11-2-4-12(18)5-3-11)21-16(22-17(13)24-10)14-6-7-20-23-14/h2-8H,9H2,1H3,(H,19,21,22)
InChIKeyVJZCBROGONFHRD-UHFFFAOYSA-N
XLogP4.41
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 18460172) is N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCc3ccc(F)cc3)nc(-c3ccno3)nc2s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VJZCBROGONFHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-10-8-13-15(19-9-11-2-4-12(18)5-3-11)21-16(22-17(13)24-10)14-6-7-20-23-14/h2-8H,9H2,1H3,(H,19,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).