3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide

C13H23N5O — CID 80819584

IUPAC3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(NCC)ncc1C
InChIInChI=1S/C13H23N5O/c1-4-7-15-11(19)6-8-16-12-10(3)9-17-13(18-12)14-5-2/h9H,4-8H2,1-3H3,(H,15,19)(H2,14,16,17,18)
InChIKeyYBRUOBVSHIWPNN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.55
Rot. Bonds8

About 3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide

3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide (PubChem CID 80819584) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide
PubChem CID80819584
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(NCC)ncc1C
InChIInChI=1S/C13H23N5O/c1-4-7-15-11(19)6-8-16-12-10(3)9-17-13(18-12)14-5-2/h9H,4-8H2,1-3H3,(H,15,19)(H2,14,16,17,18)
InChIKeyYBRUOBVSHIWPNN-UHFFFAOYSA-N
XLogP1.55
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80818525
N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
CID 115357443
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate
CID 83178473
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 79632812
3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 66281292
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide
CID 114999049
2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106280601
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80819686
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide (CID 80819584) is 3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(NCC)ncc1C.
What is the InChIKey of 3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide?
The InChIKey is YBRUOBVSHIWPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-7-15-11(19)6-8-16-12-10(3)9-17-13(18-12)14-5-2/h9H,4-8H2,1-3H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of 3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide?
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 80819584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).