3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide

C13H23N5O — CID 106098851

IUPAC3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1ncnc(NC(C)(C)CC(N)=O)c1CC
InChIInChI=1S/C13H23N5O/c1-5-9-11(15-6-2)16-8-17-12(9)18-13(3,4)7-10(14)19/h8H,5-7H2,1-4H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyOTTGGXIBWACTQT-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds7

About 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide

3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 106098851) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID106098851
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1ncnc(NC(C)(C)CC(N)=O)c1CC
InChIInChI=1S/C13H23N5O/c1-5-9-11(15-6-2)16-8-17-12(9)18-13(3,4)7-10(14)19/h8H,5-7H2,1-4H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyOTTGGXIBWACTQT-UHFFFAOYSA-N
XLogP1.54
TPSA92.93 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 ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098686
3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098849
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
CID 80787743
3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098719
2-[cyclopentyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80786697
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842162
3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098699
3-[(3-cyano-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097168
ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 106098243

Frequently Asked Questions

What is the IUPAC name of 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide (CID 106098851) is 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide is CCNc1ncnc(NC(C)(C)CC(N)=O)c1CC.
What is the InChIKey of 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is OTTGGXIBWACTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-9-11(15-6-2)16-8-17-12(9)18-13(3,4)7-10(14)19/h8H,5-7H2,1-4H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 265.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106098851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).