[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

C17H22N4O3S — CID 45251545

IUPAC[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)sc2ncnc(NCC3CCCO3)c12
InChIInChI=1S/C17H22N4O3S/c1-11-13-15(18-9-12-3-2-6-24-12)19-10-20-16(13)25-14(11)17(22)21-4-7-23-8-5-21/h10,12H,2-9H2,1H3,(H,18,19,20)
InChIKeyCESGDVVXCGZUDM-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.06
Rot. Bonds4

About [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (PubChem CID 45251545) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
PubChem CID45251545
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)sc2ncnc(NCC3CCCO3)c12
InChIInChI=1S/C17H22N4O3S/c1-11-13-15(18-9-12-3-2-6-24-12)19-10-20-16(13)25-14(11)17(22)21-4-7-23-8-5-21/h10,12H,2-9H2,1H3,(H,18,19,20)
InChIKeyCESGDVVXCGZUDM-UHFFFAOYSA-N
XLogP2.06
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1-[3-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 2576098
N-[(oxolan-2-yl)methyl]-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide
CID 2950264
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(tetrahydro-2-furanylmethyl)acetamide
CID 3146230
Ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3236381
6-[(4-Benzylpiperazin-1-yl)carbonyl]-5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine
CID 3238113
5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3240273
N,N-diethyl-6-[(2-ethylpiperidin-1-yl)carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 3280283
5-Methyl-4-(2-methylpiperidin-1-yl)-6-[(3-methylpiperidin-1-yl)carbonyl]thieno[2,3-d]pyrimidine
CID 3532339
2-(7-Methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(tet rahydro-furan-2-ylmethyl)-acetamide
CID 4433827
Ethyl 1-[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate
CID 4983699
Ethyl 1-[5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate
CID 5144922
4-[[1-(2-Methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118734660

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (CID 45251545) is [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)sc2ncnc(NCC3CCCO3)c12.
What is the InChIKey of [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is CESGDVVXCGZUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-13-15(18-9-12-3-2-6-24-12)19-10-20-16(13)25-14(11)17(22)21-4-7-23-8-5-21/h10,12H,2-9H2,1H3,(H,18,19,20).
What are the key properties of [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 362.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45251545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).