[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

C16H23N5O2S — CID 42327099

IUPAC[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)sc2ncnc(NCCN(C)C)c12
InChIInChI=1S/C16H23N5O2S/c1-11-12-14(17-4-5-20(2)3)18-10-19-15(12)24-13(11)16(22)21-6-8-23-9-7-21/h10H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyXQQTZNRDZKHTGJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.45
Rot. Bonds5

About [4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (PubChem CID 42327099) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
PubChem CID42327099
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)sc2ncnc(NCCN(C)C)c12
InChIInChI=1S/C16H23N5O2S/c1-11-12-14(17-4-5-20(2)3)18-10-19-15(12)24-13(11)16(22)21-6-8-23-9-7-21/h10H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyXQQTZNRDZKHTGJ-UHFFFAOYSA-N
XLogP1.45
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 28953252
[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 45251545
[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 45230677
[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 42397338
methyl 2-[[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
CID 26276847
4-[2-(dimethylamino)ethylamino]-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25290183
N-cyclopropyl-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 29088094
[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 25292209
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 42346611
[5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 29085791
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 45231558
azepan-1-yl-[4-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 26279444

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (CID 42327099) is [4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)sc2ncnc(NCCN(C)C)c12.
What is the InChIKey of [4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is XQQTZNRDZKHTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-12-14(17-4-5-20(2)3)18-10-19-15(12)24-13(11)16(22)21-6-8-23-9-7-21/h10H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of [4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 349.46 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42327099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).