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

C16H16FN3S — CID 5066551

IUPACN-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(C)c(F)c2)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H16FN3S/c1-8-5-6-12(7-13(8)17)20-15-14-9(2)10(3)21-16(14)19-11(4)18-15/h5-7H,1-4H3,(H,18,19,20)
InChIKeyHWPHEMNMZMQHHW-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.81
Rot. Bonds2

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

N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 5066551) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID5066551
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(C)c(F)c2)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H16FN3S/c1-8-5-6-12(7-13(8)17)20-15-14-9(2)10(3)21-16(14)19-11(4)18-15/h5-7H,1-4H3,(H,18,19,20)
InChIKeyHWPHEMNMZMQHHW-UHFFFAOYSA-N
XLogP4.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 4083586
4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 28851372
N-(3-methoxyphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 4225944
N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 9184743
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 93214059
N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 16553303
2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965406
N-(1,3-benzodioxol-5-yl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965456
5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 705281
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
(2S)-N-(3,4-difluorophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 8952211

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 5066551) is N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(Nc2ccc(C)c(F)c2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HWPHEMNMZMQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-8-5-6-12(7-13(8)17)20-15-14-9(2)10(3)21-16(14)19-11(4)18-15/h5-7H,1-4H3,(H,18,19,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5066551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).