4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide

C10H15ClN4O — CID 80936075

IUPAC4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
SMILESCCc1nc(Cl)cc(NCCCC(N)=O)n1
InChIInChI=1S/C10H15ClN4O/c1-2-9-14-7(11)6-10(15-9)13-5-3-4-8(12)16/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyWVSIOKCNIOGVHW-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.37
Rot. Bonds6

About 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide

4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide (PubChem CID 80936075) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
PubChem CID80936075
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
SMILESCCc1nc(Cl)cc(NCCCC(N)=O)n1
InChIInChI=1S/C10H15ClN4O/c1-2-9-14-7(11)6-10(15-9)13-5-3-4-8(12)16/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyWVSIOKCNIOGVHW-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
3-[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83113578
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide
CID 62482794
5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
CID 114162665
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide (CID 80936075) is 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide is CCc1nc(Cl)cc(NCCCC(N)=O)n1.
What is the InChIKey of 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide?
The InChIKey is WVSIOKCNIOGVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-2-9-14-7(11)6-10(15-9)13-5-3-4-8(12)16/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide?
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide has a molecular weight of 242.71 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 80936075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).