propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C15H21N3O3S — CID 28847415

IUPACpropan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(N(C)CCO)c2c(C)c(C(=O)OC(C)C)sc2n1
InChIInChI=1S/C15H21N3O3S/c1-8(2)21-15(20)12-9(3)11-13(18(5)6-7-19)16-10(4)17-14(11)22-12/h8,19H,6-7H2,1-5H3
InChIKeyRLESCHAZJXLMKQ-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.30
Rot. Bonds5

About propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 28847415) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID28847415
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Namepropan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(N(C)CCO)c2c(C)c(C(=O)OC(C)C)sc2n1
InChIInChI=1S/C15H21N3O3S/c1-8(2)21-15(20)12-9(3)11-13(18(5)6-7-19)16-10(4)17-14(11)22-12/h8,19H,6-7H2,1-5H3
InChIKeyRLESCHAZJXLMKQ-UHFFFAOYSA-N
XLogP2.30
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28847295
methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133356134
2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28847412
ethyl 4-[2-hydroxypropyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133274748
3-[(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoic acid
CID 122059527
ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28848730
methyl 4-[(3-hydroxy-1-phenylpropyl)-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 71866361
2,5-dimethyl-4-(N-methyl-4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3525845
propan-2-yl 2-amino-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 82055597
propan-2-yl 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 42839826
propan-2-yl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 82066346
4-[[4-(dimethylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]amino]butanoic acid
CID 82033181

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 28847415) is propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is Cc1nc(N(C)CCO)c2c(C)c(C(=O)OC(C)C)sc2n1.
What is the InChIKey of propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is RLESCHAZJXLMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-8(2)21-15(20)12-9(3)11-13(18(5)6-7-19)16-10(4)17-14(11)22-12/h8,19H,6-7H2,1-5H3.
What are the key properties of propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 323.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 28847415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).