2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide

C13H23N5O — CID 80954522

IUPAC2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide
SMILESCCCc1nc(NCC)cc(NC(C)C(=O)NC)n1
InChIInChI=1S/C13H23N5O/c1-5-7-10-17-11(15-6-2)8-12(18-10)16-9(3)13(19)14-4/h8-9H,5-7H2,1-4H3,(H,14,19)(H2,15,16,17,18)
InChIKeyXOYHIYJATNDESX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.41
Rot. Bonds7

About 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide

2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide (PubChem CID 80954522) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide
PubChem CID80954522
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide
SMILESCCCc1nc(NCC)cc(NC(C)C(=O)NC)n1
InChIInChI=1S/C13H23N5O/c1-5-7-10-17-11(15-6-2)8-12(18-10)16-9(3)13(19)14-4/h8-9H,5-7H2,1-4H3,(H,14,19)(H2,15,16,17,18)
InChIKeyXOYHIYJATNDESX-UHFFFAOYSA-N
XLogP1.41
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80955338
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
N-methyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80955339
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317
N-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanamide
CID 80987583
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80946866
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159692

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide (CID 80954522) is 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide is CCCc1nc(NCC)cc(NC(C)C(=O)NC)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide?
The InChIKey is XOYHIYJATNDESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-7-10-17-11(15-6-2)8-12(18-10)16-9(3)13(19)14-4/h8-9H,5-7H2,1-4H3,(H,14,19)(H2,15,16,17,18).
What are the key properties of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide?
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 80954522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).