4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide

C10H13ClN4O2 — CID 80732409

IUPAC4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide
SMILESCc1nc(Cl)c(C=O)c(NCCCC(N)=O)n1
InChIInChI=1S/C10H13ClN4O2/c1-6-14-9(11)7(5-16)10(15-6)13-4-2-3-8(12)17/h5H,2-4H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyVANWCKYXMZXDSU-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.93
Rot. Bonds6

About 4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide

4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide (PubChem CID 80732409) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide
PubChem CID80732409
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide
SMILESCc1nc(Cl)c(C=O)c(NCCCC(N)=O)n1
InChIInChI=1S/C10H13ClN4O2/c1-6-14-9(11)7(5-16)10(15-6)13-4-2-3-8(12)17/h5H,2-4H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyVANWCKYXMZXDSU-UHFFFAOYSA-N
XLogP0.93
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]propanamide
CID 80732228
4-chloro-6-(4-hydroxybutylamino)-2-methylpyrimidine-5-carbaldehyde
CID 106842900
4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde
CID 107318334
2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240012
4-chloro-6-[(5-hydroxy-4-methylpentyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 114152164
4-chloro-2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyrimidine-5-carbaldehyde
CID 114139469
4-chloro-6-(2-ethoxyethylamino)-2-methylpyrimidine-5-carbaldehyde
CID 80731663
4-chloro-2-methyl-6-[2-(trifluoromethylsulfanyl)ethylamino]pyrimidine-5-carbaldehyde
CID 114188159
4-chloro-6-[3-(1H-imidazol-2-yl)propylamino]-2-methylpyrimidine-5-carbaldehyde
CID 114156824
methyl 2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80732785
4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 114186752
4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide
CID 63271549

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide (CID 80732409) is 4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide is Cc1nc(Cl)c(C=O)c(NCCCC(N)=O)n1.
What is the InChIKey of 4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide?
The InChIKey is VANWCKYXMZXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-6-14-9(11)7(5-16)10(15-6)13-4-2-3-8(12)17/h5H,2-4H2,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of 4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide?
4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide has a molecular weight of 256.69 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 80732409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).