5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine

C14H13N3S — CID 835079

IUPAC5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccccc3)c2c1C
InChIInChI=1S/C14H13N3S/c1-9-10(2)18-14-12(9)13(15-8-16-14)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16,17)
InChIKeyHHTWYVDUCLRROQ-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.05
Rot. Bonds2

About 5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 835079) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID835079
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccccc3)c2c1C
InChIInChI=1S/C14H13N3S/c1-9-10(2)18-14-12(9)13(15-8-16-14)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16,17)
InChIKeyHHTWYVDUCLRROQ-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 757216
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
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 2791328
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide
CID 8934330
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 31980652
N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide
CID 21010459
propan-2-yl 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21012642

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine (CID 835079) is 5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3ccccc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HHTWYVDUCLRROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-9-10(2)18-14-12(9)13(15-8-16-14)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 255.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 835079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).