2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C18H20N4O2S — CID 45278785

IUPAC2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)c1
InChIInChI=1S/C18H20N4O2S/c1-23-13-4-2-3-12(9-13)17-20-16(19)15-10-14(25-18(15)21-17)11-22-5-7-24-8-6-22/h2-4,9-10H,5-8,11H2,1H3,(H2,19,20,21)
InChIKeyJTJVQXRKECVAJS-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.78
Rot. Bonds4

About 2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45278785) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45278785
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)c1
InChIInChI=1S/C18H20N4O2S/c1-23-13-4-2-3-12(9-13)17-20-16(19)15-10-14(25-18(15)21-17)11-22-5-7-24-8-6-22/h2-4,9-10H,5-8,11H2,1H3,(H2,19,20,21)
InChIKeyJTJVQXRKECVAJS-UHFFFAOYSA-N
XLogP2.78
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-amino-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45278618
2-(5-cyclopropylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 143976397
6-(azepan-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 90668272
6-ethyl-2-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614813
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59276729
2-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025887
3-[4-amino-6-(morpholine-4-carbonyl)thieno[2,3-d]pyrimidin-2-yl]-N-methylbenzonitrilium
CID 90980361
2-[4-amino-6-[(4-fluoropiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45278699
1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
CID 53499440
[3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]phenyl]methanol
CID 59688537
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 45275616
2-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 71193032

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45278785) is 2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is COc1cccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JTJVQXRKECVAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-23-13-4-2-3-12(9-13)17-20-16(19)15-10-14(25-18(15)21-17)11-22-5-7-24-8-6-22/h2-4,9-10H,5-8,11H2,1H3,(H2,19,20,21).
What are the key properties of 2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 356.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45278785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).