4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide

C12H21N5O — CID 80933799

IUPAC4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
SMILESCCNc1cc(NCCCC(N)=O)nc(CC)n1
InChIInChI=1S/C12H21N5O/c1-3-10-16-11(14-4-2)8-12(17-10)15-7-5-6-9(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyLHXOGZYUEQTHKB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds8

About 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide

4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide (PubChem CID 80933799) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide.

Molecular Properties

Compound Name4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
PubChem CID80933799
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
SMILESCCNc1cc(NCCCC(N)=O)nc(CC)n1
InChIInChI=1S/C12H21N5O/c1-3-10-16-11(14-4-2)8-12(17-10)15-7-5-6-9(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyLHXOGZYUEQTHKB-UHFFFAOYSA-N
XLogP1.15
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide 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

3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
6-N,2-diethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80935445
2-[(2-amino-2-oxoethyl)-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80934481
3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide?
The IUPAC name of 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide (CID 80933799) is 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide.
What is the SMILES notation for 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide?
The canonical SMILES for 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide is CCNc1cc(NCCCC(N)=O)nc(CC)n1.
What is the InChIKey of 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide?
The InChIKey is LHXOGZYUEQTHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-10-16-11(14-4-2)8-12(17-10)15-7-5-6-9(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide?
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide is sourced from PubChem (CID 80933799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).