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

C19H19N7O3S — CID 55498148

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(-c4nnnn4C)c3)sc2n1
InChIInChI=1S/C19H19N7O3S/c1-10-14-18(29-4)21-13(9-28-3)22-19(14)30-15(10)17(27)20-12-7-5-6-11(8-12)16-23-24-25-26(16)2/h5-8H,9H2,1-4H3,(H,20,27)
InChIKeyAQOHUJMOJYNLKC-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.60
Rot. Bonds6

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

4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55498148) has the molecular formula C19H19N7O3S and a molecular weight of 425.47 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55498148
Molecular FormulaC19H19N7O3S
Molecular Weight425.47 g/mol
Exact Mass425.13
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(-c4nnnn4C)c3)sc2n1
InChIInChI=1S/C19H19N7O3S/c1-10-14-18(29-4)21-13(9-28-3)22-19(14)30-15(10)17(27)20-12-7-5-6-11(8-12)16-23-24-25-26(16)2/h5-8H,9H2,1-4H3,(H,20,27)
InChIKeyAQOHUJMOJYNLKC-UHFFFAOYSA-N
XLogP2.60
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55869198
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
N-(4-hydroxy-2-methylphenyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 99810135
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55837983
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-(1,2,3,4-tetrahydroisoquinolin-8-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 154762820
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55844007
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55498148) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(-c4nnnn4C)c3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AQOHUJMOJYNLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3S/c1-10-14-18(29-4)21-13(9-28-3)22-19(14)30-15(10)17(27)20-12-7-5-6-11(8-12)16-23-24-25-26(16)2/h5-8H,9H2,1-4H3,(H,20,27).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 425.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55498148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).