2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide

C12H21N5O — CID 80800536

IUPAC2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncnc(N)c1CC
InChIInChI=1S/C12H21N5O/c1-4-6-14-12(18)8(3)17-11-9(5-2)10(13)15-7-16-11/h7-8H,4-6H2,1-3H3,(H,14,18)(H3,13,15,16,17)
InChIKeyYNRDJSDMESHLGR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.95
Rot. Bonds6

About 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide

2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 80800536) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID80800536
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncnc(N)c1CC
InChIInChI=1S/C12H21N5O/c1-4-6-14-12(18)8(3)17-11-9(5-2)10(13)15-7-16-11/h7-8H,4-6H2,1-3H3,(H,14,18)(H3,13,15,16,17)
InChIKeyYNRDJSDMESHLGR-UHFFFAOYSA-N
XLogP0.95
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801346
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80800852
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80803162
4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine
CID 82949631
N-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethyl]acetamide
CID 80788685
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 114072700
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114049887
2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide
CID 62683434

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide (CID 80800536) is 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ncnc(N)c1CC.
What is the InChIKey of 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is YNRDJSDMESHLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-6-14-12(18)8(3)17-11-9(5-2)10(13)15-7-16-11/h7-8H,4-6H2,1-3H3,(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide?
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 80800536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).