2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide

C18H20N4OS — CID 133408641

IUPAC2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide
SMILESCc1cc2c(NCc3ccc(NC(=O)C(C)C)cc3)ncnc2s1
InChIInChI=1S/C18H20N4OS/c1-11(2)17(23)22-14-6-4-13(5-7-14)9-19-16-15-8-12(3)24-18(15)21-10-20-16/h4-8,10-11H,9H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyXRUVPVMUZPDWIL-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.21
Rot. Bonds5

About 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide

2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide (PubChem CID 133408641) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide
PubChem CID133408641
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide
SMILESCc1cc2c(NCc3ccc(NC(=O)C(C)C)cc3)ncnc2s1
InChIInChI=1S/C18H20N4OS/c1-11(2)17(23)22-14-6-4-13(5-7-14)9-19-16-15-8-12(3)24-18(15)21-10-20-16/h4-8,10-11H,9H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyXRUVPVMUZPDWIL-UHFFFAOYSA-N
XLogP4.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide with MolForge

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Related Compounds

5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81088363
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
N-[4-[4-[(3-methylphenyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide
CID 162677712
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
CID 113011746
N-[(2-ethoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408919
2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 65035565
6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133407869
ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 63616724
1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 133409400
N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
CID 43230530
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide (CID 133408641) is 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide is Cc1cc2c(NCc3ccc(NC(=O)C(C)C)cc3)ncnc2s1.
What is the InChIKey of 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide?
The InChIKey is XRUVPVMUZPDWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11(2)17(23)22-14-6-4-13(5-7-14)9-19-16-15-8-12(3)24-18(15)21-10-20-16/h4-8,10-11H,9H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide?
2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide has a molecular weight of 340.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 133408641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).