3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one

C12H15N5OS — CID 106258661

IUPAC3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCc1cc2c(NC3CCN(C)C3=O)nc(N)nc2s1
InChIInChI=1S/C12H15N5OS/c1-6-5-7-9(15-12(13)16-10(7)19-6)14-8-3-4-17(2)11(8)18/h5,8H,3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeyHZQFIJNTXVHPGD-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.22
Rot. Bonds2

About 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one

3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106258661) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID106258661
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCc1cc2c(NC3CCN(C)C3=O)nc(N)nc2s1
InChIInChI=1S/C12H15N5OS/c1-6-5-7-9(15-12(13)16-10(7)19-6)14-8-3-4-17(2)11(8)18/h5,8H,3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeyHZQFIJNTXVHPGD-UHFFFAOYSA-N
XLogP1.22
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one (CID 106258661) is 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one is Cc1cc2c(NC3CCN(C)C3=O)nc(N)nc2s1.
What is the InChIKey of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is HZQFIJNTXVHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-6-5-7-9(15-12(13)16-10(7)19-6)14-8-3-4-17(2)11(8)18/h5,8H,3-4H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 277.35 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).