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

C20H24N4OS — CID 9280306

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCCN2CCOCC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H24N4OS/c1-15-22-19(21-8-5-9-24-10-12-25-13-11-24)18-17(14-26-20(18)23-15)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,21,22,23)
InChIKeyMAOWFVACSGFKFO-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.80
Rot. Bonds6

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

2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9280306) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9280306
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCCN2CCOCC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H24N4OS/c1-15-22-19(21-8-5-9-24-10-12-25-13-11-24)18-17(14-26-20(18)23-15)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,21,22,23)
InChIKeyMAOWFVACSGFKFO-UHFFFAOYSA-N
XLogP3.80
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.80
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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Related Compounds

N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133433969
2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714
N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2535766
2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16553286
N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 16553194
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2481763
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978
1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 75422132
2,5,6-trimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 23740566
N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2487092
(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
CID 9311855
2-(morpholin-4-ylmethyl)-5-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 16553174

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 9280306) is 2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCCCN2CCOCC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MAOWFVACSGFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-22-19(21-8-5-9-24-10-12-25-13-11-24)18-17(14-26-20(18)23-15)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,21,22,23).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 368.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9280306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).