N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C18H19N3O2S — CID 34001531

IUPACN-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(c2ncnc3sccc23)C2CC2)c(OC)c1
InChIInChI=1S/C18H19N3O2S/c1-22-14-6-3-12(16(9-14)23-2)10-21(13-4-5-13)17-15-7-8-24-18(15)20-11-19-17/h3,6-9,11,13H,4-5,10H2,1-2H3
InChIKeyOQRAHTYEUXLPKO-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.88
Rot. Bonds6

About N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 34001531) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID34001531
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(c2ncnc3sccc23)C2CC2)c(OC)c1
InChIInChI=1S/C18H19N3O2S/c1-22-14-6-3-12(16(9-14)23-2)10-21(13-4-5-13)17-15-7-8-24-18(15)20-11-19-17/h3,6-9,11,13H,4-5,10H2,1-2H3
InChIKeyOQRAHTYEUXLPKO-UHFFFAOYSA-N
XLogP3.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 34001531) is N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(CN(c2ncnc3sccc23)C2CC2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OQRAHTYEUXLPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-22-14-6-3-12(16(9-14)23-2)10-21(13-4-5-13)17-15-7-8-24-18(15)20-11-19-17/h3,6-9,11,13H,4-5,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 341.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 34001531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).