5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine

C15H18N4S — CID 61477536

IUPAC5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(C)n2c(C)c(C)c3c(N)ncnc32)s1
InChIInChI=1S/C15H18N4S/c1-8-5-6-12(20-8)11(4)19-10(3)9(2)13-14(16)17-7-18-15(13)19/h5-7,11H,1-4H3,(H2,16,17,18)
InChIKeyLAPPEIKRYRHNDG-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.61
Rot. Bonds2

About 5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 61477536) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID61477536
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(C)n2c(C)c(C)c3c(N)ncnc32)s1
InChIInChI=1S/C15H18N4S/c1-8-5-6-12(20-8)11(4)19-10(3)9(2)13-14(16)17-7-18-15(13)19/h5-7,11H,1-4H3,(H2,16,17,18)
InChIKeyLAPPEIKRYRHNDG-UHFFFAOYSA-N
XLogP3.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 61477536) is 5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(C(C)n2c(C)c(C)c3c(N)ncnc32)s1.
What is the InChIKey of 5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LAPPEIKRYRHNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-8-5-6-12(20-8)11(4)19-10(3)9(2)13-14(16)17-7-18-15(13)19/h5-7,11H,1-4H3,(H2,16,17,18).
What are the key properties of 5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-[1-(5-methylthiophen-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 61477536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).