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

C14H21N3S — CID 114174333

IUPAC5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCC(C)(CC)Nc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C14H21N3S/c1-6-14(5,7-2)17-12-11-9(3)10(4)18-13(11)16-8-15-12/h8H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyNJKUBGYPHHMQPD-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.30
Rot. Bonds4

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

5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 114174333) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID114174333
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCC(C)(CC)Nc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C14H21N3S/c1-6-14(5,7-2)17-12-11-9(3)10(4)18-13(11)16-8-15-12/h8H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyNJKUBGYPHHMQPD-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 114174333) is 5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine is CCC(C)(CC)Nc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NJKUBGYPHHMQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-6-14(5,7-2)17-12-11-9(3)10(4)18-13(11)16-8-15-12/h8H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 263.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114174333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).