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

C14H20N4OS — CID 2809479

IUPAC7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCCCN3CCOCC3)ncnc12
InChIInChI=1S/C14H20N4OS/c1-11-9-20-13-12(11)16-10-17-14(13)15-3-2-4-18-5-7-19-8-6-18/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyXAKQSEVYBCVQRD-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.13
Rot. Bonds5

About 7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine

7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 2809479) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID2809479
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCCCN3CCOCC3)ncnc12
InChIInChI=1S/C14H20N4OS/c1-11-9-20-13-12(11)16-10-17-14(13)15-3-2-4-18-5-7-19-8-6-18/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyXAKQSEVYBCVQRD-UHFFFAOYSA-N
XLogP2.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine (CID 2809479) is 7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NCCCN3CCOCC3)ncnc12.
What is the InChIKey of 7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is XAKQSEVYBCVQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-11-9-20-13-12(11)16-10-17-14(13)15-3-2-4-18-5-7-19-8-6-18/h9-10H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine?
7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2809479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).