N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide

C17H25N5OS — CID 122325522

IUPACN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCCNc1nc(C)cc(NCCNC(=O)CCc2sccc2C)n1
InChIInChI=1S/C17H25N5OS/c1-4-18-17-21-13(3)11-15(22-17)19-8-9-20-16(23)6-5-14-12(2)7-10-24-14/h7,10-11H,4-6,8-9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKeyLGXUVRDYLQAZPX-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.75
Rot. Bonds9

About N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide

N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide (PubChem CID 122325522) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide
PubChem CID122325522
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCCNc1nc(C)cc(NCCNC(=O)CCc2sccc2C)n1
InChIInChI=1S/C17H25N5OS/c1-4-18-17-21-13(3)11-15(22-17)19-8-9-20-16(23)6-5-14-12(2)7-10-24-14/h7,10-11H,4-6,8-9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKeyLGXUVRDYLQAZPX-UHFFFAOYSA-N
XLogP2.75
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2,5-dimethylbenzamide
CID 56700210
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325518
2-(2,4-dichlorophenoxy)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122325285
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122287135
4-bromo-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325605
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-fluorophenyl)urea
CID 56923369
4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155462
3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 115153356

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide?
The IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide (CID 122325522) is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide.
What is the SMILES notation for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide?
The canonical SMILES for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide is CCNc1nc(C)cc(NCCNC(=O)CCc2sccc2C)n1.
What is the InChIKey of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide?
The InChIKey is LGXUVRDYLQAZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-4-18-17-21-13(3)11-15(22-17)19-8-9-20-16(23)6-5-14-12(2)7-10-24-14/h7,10-11H,4-6,8-9H2,1-3H3,(H,20,23)(H2,18,19,21,22).
What are the key properties of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide?
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide has a molecular weight of 347.49 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 122325522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).