N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine

C12H17N3OS — CID 62194454

IUPACN-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COCC(C)C)nc2sccc12
InChIInChI=1S/C12H17N3OS/c1-8(2)6-16-7-10-14-11(13-3)9-4-5-17-12(9)15-10/h4-5,8H,6-7H2,1-3H3,(H,13,14,15)
InChIKeyQURWFACGNGYIKV-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.91
Rot. Bonds5

About N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62194454) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62194454
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COCC(C)C)nc2sccc12
InChIInChI=1S/C12H17N3OS/c1-8(2)6-16-7-10-14-11(13-3)9-4-5-17-12(9)15-10/h4-5,8H,6-7H2,1-3H3,(H,13,14,15)
InChIKeyQURWFACGNGYIKV-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62194454) is N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(COCC(C)C)nc2sccc12.
What is the InChIKey of N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QURWFACGNGYIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8(2)6-16-7-10-14-11(13-3)9-4-5-17-12(9)15-10/h4-5,8H,6-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 251.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62194454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).