propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate

C23H27N3O5S — CID 55463579

IUPACpropan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC(CC(=O)OC(C)C)c3ccccc3)sc2n1
InChIInChI=1S/C23H27N3O5S/c1-13(2)31-18(27)11-16(15-9-7-6-8-10-15)24-21(28)20-14(3)19-22(30-5)25-17(12-29-4)26-23(19)32-20/h6-10,13,16H,11-12H2,1-5H3,(H,24,28)
InChIKeyJWVZZLFIXNWCRT-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.97
Rot. Bonds9

About propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate

propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate (PubChem CID 55463579) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate
PubChem CID55463579
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Namepropan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC(CC(=O)OC(C)C)c3ccccc3)sc2n1
InChIInChI=1S/C23H27N3O5S/c1-13(2)31-18(27)11-16(15-9-7-6-8-10-15)24-21(28)20-14(3)19-22(30-5)25-17(12-29-4)26-23(19)32-20/h6-10,13,16H,11-12H2,1-5H3,(H,24,28)
InChIKeyJWVZZLFIXNWCRT-UHFFFAOYSA-N
XLogP3.97
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate
CID 55462191
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 56519543
4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55588509
N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55635921
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
4-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55573855
4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55453289
4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55564769
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55853752
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451515
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451194
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847371

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate (CID 55463579) is propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate is COCc1nc(OC)c2c(C)c(C(=O)NC(CC(=O)OC(C)C)c3ccccc3)sc2n1.
What is the InChIKey of propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is JWVZZLFIXNWCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-13(2)31-18(27)11-16(15-9-7-6-8-10-15)24-21(28)20-14(3)19-22(30-5)25-17(12-29-4)26-23(19)32-20/h6-10,13,16H,11-12H2,1-5H3,(H,24,28).
What are the key properties of propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate?
propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 457.55 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 55463579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).