N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide

C13H23N5O — CID 80800935

IUPACN-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
SMILESCCNC(=O)C(C)Nc1ncnc(NC)c1C(C)C
InChIInChI=1S/C13H23N5O/c1-6-15-13(19)9(4)18-12-10(8(2)3)11(14-5)16-7-17-12/h7-9H,6H2,1-5H3,(H,15,19)(H2,14,16,17,18)
InChIKeyMKJGBKPQPSDRAP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds6

About N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide

N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide (PubChem CID 80800935) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
PubChem CID80800935
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
SMILESCCNC(=O)C(C)Nc1ncnc(NC)c1C(C)C
InChIInChI=1S/C13H23N5O/c1-6-15-13(19)9(4)18-12-10(8(2)3)11(14-5)16-7-17-12/h7-9H,6H2,1-5H3,(H,15,19)(H2,14,16,17,18)
InChIKeyMKJGBKPQPSDRAP-UHFFFAOYSA-N
XLogP1.58
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
CID 113344286
N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80800852
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801346
methyl 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80801917
6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161
3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 80848028
4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813471
2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol
CID 107855651
6-N-methyl-4-N-(3-methylpentan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 106332068
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347461
N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 104533495

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide (CID 80800935) is N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide is CCNC(=O)C(C)Nc1ncnc(NC)c1C(C)C.
What is the InChIKey of N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide?
The InChIKey is MKJGBKPQPSDRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-6-15-13(19)9(4)18-12-10(8(2)3)11(14-5)16-7-17-12/h7-9H,6H2,1-5H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide?
N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80800935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).