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

C14H19N3O2S — CID 62195337

IUPACN-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COCC2CCCCO2)nc2sccc12
InChIInChI=1S/C14H19N3O2S/c1-15-13-11-5-7-20-14(11)17-12(16-13)9-18-8-10-4-2-3-6-19-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,15,16,17)
InChIKeyQIGJKXZSHCVMGB-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.82
Rot. Bonds5

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

N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62195337) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62195337
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COCC2CCCCO2)nc2sccc12
InChIInChI=1S/C14H19N3O2S/c1-15-13-11-5-7-20-14(11)17-12(16-13)9-18-8-10-4-2-3-6-19-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,15,16,17)
InChIKeyQIGJKXZSHCVMGB-UHFFFAOYSA-N
XLogP2.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62195337) is N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(COCC2CCCCO2)nc2sccc12.
What is the InChIKey of N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QIGJKXZSHCVMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-15-13-11-5-7-20-14(11)17-12(16-13)9-18-8-10-4-2-3-6-19-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,15,16,17).
What are the key properties of N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 293.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62195337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).