N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine

C18H20N4OS — CID 17435234

IUPACN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCc2ccc(CN3CCOCC3)cc2)c2sccc2n1
InChIInChI=1S/C18H20N4OS/c1-3-15(12-22-6-8-23-9-7-22)4-2-14(1)11-19-18-17-16(5-10-24-17)20-13-21-18/h1-5,10,13H,6-9,11-12H2,(H,19,20,21)
InChIKeyUWXWDFOXJOAJKV-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.14
Rot. Bonds5

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

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 17435234) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID17435234
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCc2ccc(CN3CCOCC3)cc2)c2sccc2n1
InChIInChI=1S/C18H20N4OS/c1-3-15(12-22-6-8-23-9-7-22)4-2-14(1)11-19-18-17-16(5-10-24-17)20-13-21-18/h1-5,10,13H,6-9,11-12H2,(H,19,20,21)
InChIKeyUWXWDFOXJOAJKV-UHFFFAOYSA-N
XLogP3.14
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine (CID 17435234) is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine is c1nc(NCc2ccc(CN3CCOCC3)cc2)c2sccc2n1.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is UWXWDFOXJOAJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-3-15(12-22-6-8-23-9-7-22)4-2-14(1)11-19-18-17-16(5-10-24-17)20-13-21-18/h1-5,10,13H,6-9,11-12H2,(H,19,20,21).
What are the key properties of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 340.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 17435234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).