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

C15H14FN3S — CID 4060721

IUPACN-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(F)cc2)c2cc(C)sc2n1
InChIInChI=1S/C15H14FN3S/c1-9-7-13-14(18-10(2)19-15(13)20-9)17-8-11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyOYSUMCKEKZLEHW-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.06
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4060721) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4060721
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(F)cc2)c2cc(C)sc2n1
InChIInChI=1S/C15H14FN3S/c1-9-7-13-14(18-10(2)19-15(13)20-9)17-8-11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyOYSUMCKEKZLEHW-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91965651
6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965174
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile
CID 103327161
N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965637
N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 12820932
N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18460321
N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2413300
4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80777941
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 154490597
N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine
CID 177249429

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 4060721) is N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccc(F)cc2)c2cc(C)sc2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OYSUMCKEKZLEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-9-7-13-14(18-10(2)19-15(13)20-9)17-8-11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 4.06, 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]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4060721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).