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

C24H30N4O3S — CID 55844007

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC3CCN(Cc4cccc(C)c4)CC3)sc2n1
InChIInChI=1S/C24H30N4O3S/c1-15-6-5-7-17(12-15)13-28-10-8-18(9-11-28)25-22(29)21-16(2)20-23(31-4)26-19(14-30-3)27-24(20)32-21/h5-7,12,18H,8-11,13-14H2,1-4H3,(H,25,29)
InChIKeyDXDCCQRJTOQYPO-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.86
Rot. Bonds7

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

4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55844007) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55844007
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC3CCN(Cc4cccc(C)c4)CC3)sc2n1
InChIInChI=1S/C24H30N4O3S/c1-15-6-5-7-17(12-15)13-28-10-8-18(9-11-28)25-22(29)21-16(2)20-23(31-4)26-19(14-30-3)27-24(20)32-21/h5-7,12,18H,8-11,13-14H2,1-4H3,(H,25,29)
InChIKeyDXDCCQRJTOQYPO-UHFFFAOYSA-N
XLogP3.86
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55461644
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 56569085
N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 86921687
4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55970647
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847583
2-(furan-2-yl)-4,5-dimethyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46482024
4-fluoro-3-(methoxymethyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 55745574
4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 119427704
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847302
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 55450762
4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55564769

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55844007) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NC3CCN(Cc4cccc(C)c4)CC3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DXDCCQRJTOQYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-15-6-5-7-17(12-15)13-28-10-8-18(9-11-28)25-22(29)21-16(2)20-23(31-4)26-19(14-30-3)27-24(20)32-21/h5-7,12,18H,8-11,13-14H2,1-4H3,(H,25,29).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55844007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).