3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide

C13H23N5O — CID 106098849

IUPAC3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1nc(C)nc(NC(C)(C)CC(N)=O)c1C
InChIInChI=1S/C13H23N5O/c1-6-15-11-8(2)12(17-9(3)16-11)18-13(4,5)7-10(14)19/h6-7H2,1-5H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyXOKDWQZORHLGHL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.59
Rot. Bonds6

About 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide

3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 106098849) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID106098849
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1nc(C)nc(NC(C)(C)CC(N)=O)c1C
InChIInChI=1S/C13H23N5O/c1-6-15-11-8(2)12(17-9(3)16-11)18-13(4,5)7-10(14)19/h6-7H2,1-5H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyXOKDWQZORHLGHL-UHFFFAOYSA-N
XLogP1.59
TPSA92.93 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 ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80812195
3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098719
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098699
3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098851
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098766
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982855
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80976798
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982786
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide
CID 106098053
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098033
methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate
CID 80812557

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide (CID 106098849) is 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide is CCNc1nc(C)nc(NC(C)(C)CC(N)=O)c1C.
What is the InChIKey of 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is XOKDWQZORHLGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-6-15-11-8(2)12(17-9(3)16-11)18-13(4,5)7-10(14)19/h6-7H2,1-5H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide?
3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 265.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106098849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).