4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H22N6O3S — CID 56519543

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC(c3ccccc3)c3n[nH]c(C)n3)sc2n1
InChIInChI=1S/C21H22N6O3S/c1-11-15-20(30-4)23-14(10-29-3)24-21(15)31-17(11)19(28)25-16(13-8-6-5-7-9-13)18-22-12(2)26-27-18/h5-9,16H,10H2,1-4H3,(H,25,28)(H,22,26,27)
InChIKeyWVAPUVXBNVSXKE-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.10
Rot. Bonds7

About 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56519543) has the molecular formula C21H22N6O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID56519543
Molecular FormulaC21H22N6O3S
Molecular Weight438.51 g/mol
Exact Mass438.15
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC(c3ccccc3)c3n[nH]c(C)n3)sc2n1
InChIInChI=1S/C21H22N6O3S/c1-11-15-20(30-4)23-14(10-29-3)24-21(15)31-17(11)19(28)25-16(13-8-6-5-7-9-13)18-22-12(2)26-27-18/h5-9,16H,10H2,1-4H3,(H,25,28)(H,22,26,27)
InChIKeyWVAPUVXBNVSXKE-UHFFFAOYSA-N
XLogP3.10
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
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
propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate
CID 55463579
4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55588509
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
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-[2-(2-phenylethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451194
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
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55452613
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847371
N-(3-indol-1-ylpropyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134061820

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 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) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NC(c3ccccc3)c3n[nH]c(C)n3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WVAPUVXBNVSXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S/c1-11-15-20(30-4)23-14(10-29-3)24-21(15)31-17(11)19(28)25-16(13-8-6-5-7-9-13)18-22-12(2)26-27-18/h5-9,16H,10H2,1-4H3,(H,25,28)(H,22,26,27).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56519543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).