N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

C22H22N6O2S — CID 154963443

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2sc3ncnc(N(C)c4cccnc4)c3c2C)ccn1
InChIInChI=1S/C22H22N6O2S/c1-14-18-20(28(3)16-6-5-8-23-11-16)25-13-26-21(18)31-19(14)22(29)27(2)12-15-7-9-24-17(10-15)30-4/h5-11,13H,12H2,1-4H3
InChIKeyWPNJTNPMNCYOBV-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.84
Rot. Bonds6

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

N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 154963443) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID154963443
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2sc3ncnc(N(C)c4cccnc4)c3c2C)ccn1
InChIInChI=1S/C22H22N6O2S/c1-14-18-20(28(3)16-6-5-8-23-11-16)25-13-26-21(18)31-19(14)22(29)27(2)12-15-7-9-24-17(10-15)30-4/h5-11,13H,12H2,1-4H3
InChIKeyWPNJTNPMNCYOBV-UHFFFAOYSA-N
XLogP3.84
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854879
N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3586131
4-[(3-methoxyphenyl)methylamino]-N,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26318634
N-benzyl-N,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344618
pyridin-3-ylmethyl N-[(2-methoxy-4-pyridinyl)methyl]-N-oxidocarbamate
CID 86647780
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
N-(5-fluoro-2-methylphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 20969343
4-[2-(3-methoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26348147
4-[(2-methoxyphenyl)methylamino]-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26352092
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
4-(azocan-1-yl)-N-(furan-2-ylmethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42323224

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 154963443) is N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is COc1cc(CN(C)C(=O)c2sc3ncnc(N(C)c4cccnc4)c3c2C)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WPNJTNPMNCYOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-14-18-20(28(3)16-6-5-8-23-11-16)25-13-26-21(18)31-19(14)22(29)27(2)12-15-7-9-24-17(10-15)30-4/h5-11,13H,12H2,1-4H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-N,5-dimethyl-4-[methyl(pyridin-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 154963443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).