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

C9H13ClN4O — CID 62482794

IUPAC4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide
SMILESCc1cc(NCCCC(N)=O)nc(Cl)n1
InChIInChI=1S/C9H13ClN4O/c1-6-5-8(14-9(10)13-6)12-4-2-3-7(11)15/h5H,2-4H2,1H3,(H2,11,15)(H,12,13,14)
InChIKeyYPTQDMIQNGHEDR-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.12
Rot. Bonds5

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

4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide (PubChem CID 62482794) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide
PubChem CID62482794
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide
SMILESCc1cc(NCCCC(N)=O)nc(Cl)n1
InChIInChI=1S/C9H13ClN4O/c1-6-5-8(14-9(10)13-6)12-4-2-3-7(11)15/h5H,2-4H2,1H3,(H2,11,15)(H,12,13,14)
InChIKeyYPTQDMIQNGHEDR-UHFFFAOYSA-N
XLogP1.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.12
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

4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842931
5-[(2-amino-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106241520
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908
2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine
CID 62480987
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane
CID 142930051
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341549

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide (CID 62482794) is 4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide is Cc1cc(NCCCC(N)=O)nc(Cl)n1.
What is the InChIKey of 4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide?
The InChIKey is YPTQDMIQNGHEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-6-5-8(14-9(10)13-6)12-4-2-3-7(11)15/h5H,2-4H2,1H3,(H2,11,15)(H,12,13,14).
What are the key properties of 4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide?
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide has a molecular weight of 228.68 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 62482794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).