N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C19H22N4OS — CID 2535766

IUPACN-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H22N4OS/c1-2-20-18-17-15(14-6-4-3-5-7-14)13-25-19(17)22-16(21-18)12-23-8-10-24-11-9-23/h3-7,13H,2,8-12H2,1H3,(H,20,21,22)
InChIKeyNNOUVACCRVDMLL-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.62
Rot. Bonds5

About N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2535766) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2535766
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H22N4OS/c1-2-20-18-17-15(14-6-4-3-5-7-14)13-25-19(17)22-16(21-18)12-23-8-10-24-11-9-23/h3-7,13H,2,8-12H2,1H3,(H,20,21,22)
InChIKeyNNOUVACCRVDMLL-UHFFFAOYSA-N
XLogP3.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2535766) is N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NNOUVACCRVDMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-2-20-18-17-15(14-6-4-3-5-7-14)13-25-19(17)22-16(21-18)12-23-8-10-24-11-9-23/h3-7,13H,2,8-12H2,1H3,(H,20,21,22).
What are the key properties of N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 354.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2535766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).