2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide

C18H19ClN4OS — CID 9195777

IUPAC2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C18H19ClN4OS/c1-3-8-20-15(24)9-23(2)17-16-14(10-25-18(16)22-11-21-17)12-4-6-13(19)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,24)
InChIKeyUEWXVLORDDYLNN-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.97
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide

2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide (PubChem CID 9195777) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide
PubChem CID9195777
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C18H19ClN4OS/c1-3-8-20-15(24)9-23(2)17-16-14(10-25-18(16)22-11-21-17)12-4-6-13(19)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,24)
InChIKeyUEWXVLORDDYLNN-UHFFFAOYSA-N
XLogP3.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 8566197
N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9109926
2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 16553270
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(2-methoxyethyl)acetamide
CID 2081514
2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 55142736
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2100349
ethyl 3-[methyl-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate
CID 110497916
5-(4-chlorophenyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 2421820
5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 41320288
2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
CID 114845389
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
1-butyl-3-[4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]sulfonylurea
CID 21011566

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide (CID 9195777) is 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1ncnc2scc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide?
The InChIKey is UEWXVLORDDYLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-3-8-20-15(24)9-23(2)17-16-14(10-25-18(16)22-11-21-17)12-4-6-13(19)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,24).
What are the key properties of 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide?
2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide has a molecular weight of 374.90 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9195777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).