2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

C18H21N3S — CID 91964645

IUPAC2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cc3ccccc3)nc(NC(C)C)c2c1C
InChIInChI=1S/C18H21N3S/c1-11(2)19-17-16-12(3)13(4)22-18(16)21-15(20-17)10-14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3,(H,19,20,21)
InChIKeyKKFITKUHWMBLFX-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.72
Rot. Bonds4

About 2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964645) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91964645
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cc3ccccc3)nc(NC(C)C)c2c1C
InChIInChI=1S/C18H21N3S/c1-11(2)19-17-16-12(3)13(4)22-18(16)21-15(20-17)10-14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3,(H,19,20,21)
InChIKeyKKFITKUHWMBLFX-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 91964645) is 2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(Cc3ccccc3)nc(NC(C)C)c2c1C.
What is the InChIKey of 2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KKFITKUHWMBLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-11(2)19-17-16-12(3)13(4)22-18(16)21-15(20-17)10-14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3,(H,19,20,21).
What are the key properties of 2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).