2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C11H17N3OS — CID 83191111

IUPAC2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(COC)nc2c1CSC2
InChIInChI=1S/C11H17N3OS/c1-3-4-12-11-8-6-16-7-9(8)13-10(14-11)5-15-2/h3-7H2,1-2H3,(H,12,13,14)
InChIKeyQLAIUOHHKJZPBE-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.19
Rot. Bonds5

About 2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191111) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191111
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(COC)nc2c1CSC2
InChIInChI=1S/C11H17N3OS/c1-3-4-12-11-8-6-16-7-9(8)13-10(14-11)5-15-2/h3-7H2,1-2H3,(H,12,13,14)
InChIKeyQLAIUOHHKJZPBE-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191111) is 2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(COC)nc2c1CSC2.
What is the InChIKey of 2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is QLAIUOHHKJZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-4-12-11-8-6-16-7-9(8)13-10(14-11)5-15-2/h3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 239.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).