5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C14H15N3S2 — CID 60964837

IUPAC5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2ncnc3sc(C)c(C)c23)s1
InChIInChI=1S/C14H15N3S2/c1-8-4-5-11(18-8)6-15-13-12-9(2)10(3)19-14(12)17-7-16-13/h4-5,7H,6H2,1-3H3,(H,15,16,17)
InChIKeyHOCDSEZKHMFYEC-UHFFFAOYSA-N
MW289.43 g/mol
LogP4.29
Rot. Bonds3

About 5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 60964837) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID60964837
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2ncnc3sc(C)c(C)c23)s1
InChIInChI=1S/C14H15N3S2/c1-8-4-5-11(18-8)6-15-13-12-9(2)10(3)19-14(12)17-7-16-13/h4-5,7H,6H2,1-3H3,(H,15,16,17)
InChIKeyHOCDSEZKHMFYEC-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60965281
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60706733
5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 54897353
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818447
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 63023616
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 60964837) is 5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(CNc2ncnc3sc(C)c(C)c23)s1.
What is the InChIKey of 5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HOCDSEZKHMFYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-8-4-5-11(18-8)6-15-13-12-9(2)10(3)19-14(12)17-7-16-13/h4-5,7H,6H2,1-3H3,(H,15,16,17).
What are the key properties of 5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60964837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).