4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile

C18H18N4O3S — CID 71188042

IUPAC4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile
SMILESCOc1cc(Cc2nc(N)c3c(C)c(C#N)sc3n2)cc(OC)c1OC
InChIInChI=1S/C18H18N4O3S/c1-9-13(8-19)26-18-15(9)17(20)21-14(22-18)7-10-5-11(23-2)16(25-4)12(6-10)24-3/h5-6H,7H2,1-4H3,(H2,20,21,22)
InChIKeyVZGOVLFRNLUOLF-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.07
Rot. Bonds5

About 4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile

4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 71188042) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile
PubChem CID71188042
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile
SMILESCOc1cc(Cc2nc(N)c3c(C)c(C#N)sc3n2)cc(OC)c1OC
InChIInChI=1S/C18H18N4O3S/c1-9-13(8-19)26-18-15(9)17(20)21-14(22-18)7-10-5-11(23-2)16(25-4)12(6-10)24-3/h5-6H,7H2,1-4H3,(H2,20,21,22)
InChIKeyVZGOVLFRNLUOLF-UHFFFAOYSA-N
XLogP3.07
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 628127
4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 12655207
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]acetonitrile
CID 23276126
5,6-dimethyl-2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 61025252
4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 175987067
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 14042005
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 39049445
2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025987
4-imidazol-1-yl-5-methyl-2-(2,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile
CID 69369845
3,6-diamino-5-cyano-N-[(4-methylphenyl)methyl]-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23942252
4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116647095
5-[[3-(ethoxymethoxy)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 101196638

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile (CID 71188042) is 4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile is COc1cc(Cc2nc(N)c3c(C)c(C#N)sc3n2)cc(OC)c1OC.
What is the InChIKey of 4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is VZGOVLFRNLUOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-9-13(8-19)26-18-15(9)17(20)21-14(22-18)7-10-5-11(23-2)16(25-4)12(6-10)24-3/h5-6H,7H2,1-4H3,(H2,20,21,22).
What are the key properties of 4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile?
4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 370.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 71188042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).