4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C16H17N5O2S — CID 154780957

IUPAC4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccnc(CNC(=O)c2sc3nc(C)nc(N)c3c2C)c1
InChIInChI=1S/C16H17N5O2S/c1-8-12-14(17)20-9(2)21-16(12)24-13(8)15(22)19-7-10-6-11(23-3)4-5-18-10/h4-6H,7H2,1-3H3,(H,19,22)(H2,17,20,21)
InChIKeyLXQMYOOVOZZGBM-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.22
Rot. Bonds4

About 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 154780957) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID154780957
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccnc(CNC(=O)c2sc3nc(C)nc(N)c3c2C)c1
InChIInChI=1S/C16H17N5O2S/c1-8-12-14(17)20-9(2)21-16(12)24-13(8)15(22)19-7-10-6-11(23-3)4-5-18-10/h4-6H,7H2,1-3H3,(H,19,22)(H2,17,20,21)
InChIKeyLXQMYOOVOZZGBM-UHFFFAOYSA-N
XLogP2.22
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[(4-methoxy-2-pyridinyl)methyl]acetamide
CID 121378949
4-amino-N-(4-ethyl-1,3-thiazol-2-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154805547
5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 136518818
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 75448045
4-amino-N-(1H-indazol-5-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154797454
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057186
N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33282949
2-ethyl-4,5-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25331738
ethyl 4-[(3-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26442056
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713422
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55844285

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 154780957) is 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is COc1ccnc(CNC(=O)c2sc3nc(C)nc(N)c3c2C)c1.
What is the InChIKey of 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LXQMYOOVOZZGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-8-12-14(17)20-9(2)21-16(12)24-13(8)15(22)19-7-10-6-11(23-3)4-5-18-10/h4-6H,7H2,1-3H3,(H,19,22)(H2,17,20,21).
What are the key properties of 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 154780957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).