N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C13H15N5S — CID 83190000

IUPACN-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ncc(C)cn2)nc2c1CSC2
InChIInChI=1S/C13H15N5S/c1-3-14-11-9-6-19-7-10(9)17-13(18-11)12-15-4-8(2)5-16-12/h4-5H,3,6-7H2,1-2H3,(H,14,17,18)
InChIKeyYKEFILGQBKKYHG-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.42
Rot. Bonds3

About N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190000) has the molecular formula C13H15N5S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190000
Molecular FormulaC13H15N5S
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC NameN-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ncc(C)cn2)nc2c1CSC2
InChIInChI=1S/C13H15N5S/c1-3-14-11-9-6-19-7-10(9)17-13(18-11)12-15-4-8(2)5-16-12/h4-5H,3,6-7H2,1-2H3,(H,14,17,18)
InChIKeyYKEFILGQBKKYHG-UHFFFAOYSA-N
XLogP2.42
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190000) is N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(-c2ncc(C)cn2)nc2c1CSC2.
What is the InChIKey of N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is YKEFILGQBKKYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-3-14-11-9-6-19-7-10(9)17-13(18-11)12-15-4-8(2)5-16-12/h4-5H,3,6-7H2,1-2H3,(H,14,17,18).
What are the key properties of N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 273.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methylpyrimidin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).