N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine

C12H16N4OS — CID 2530533

IUPACN-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NCCN2CCOCC2)c2ccsc2n1
InChIInChI=1S/C12H16N4OS/c1-8-18-12-10(1)11(14-9-15-12)13-2-3-16-4-6-17-7-5-16/h1,8-9H,2-7H2,(H,13,14,15)
InChIKeyKDLSJXVECHECKE-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.44
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2530533) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2530533
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NCCN2CCOCC2)c2ccsc2n1
InChIInChI=1S/C12H16N4OS/c1-8-18-12-10(1)11(14-9-15-12)13-2-3-16-4-6-17-7-5-16/h1,8-9H,2-7H2,(H,13,14,15)
InChIKeyKDLSJXVECHECKE-UHFFFAOYSA-N
XLogP1.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2530533) is N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine is c1nc(NCCN2CCOCC2)c2ccsc2n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KDLSJXVECHECKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-18-12-10(1)11(14-9-15-12)13-2-3-16-4-6-17-7-5-16/h1,8-9H,2-7H2,(H,13,14,15).
What are the key properties of N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2530533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).