4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde

C10H11ClN6O — CID 114168046

IUPAC4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C10H11ClN6O/c1-5(9-12-4-13-17-9)14-10-7(3-18)8(11)15-6(2)16-10/h3-5H,1-2H3,(H,12,13,17)(H,14,15,16)
InChIKeyADJKNSRHKVHZFR-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.54
Rot. Bonds4

About 4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde (PubChem CID 114168046) has the molecular formula C10H11ClN6O and a molecular weight of 266.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
PubChem CID114168046
Molecular FormulaC10H11ClN6O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C10H11ClN6O/c1-5(9-12-4-13-17-9)14-10-7(3-18)8(11)15-6(2)16-10/h3-5H,1-2H3,(H,12,13,17)(H,14,15,16)
InChIKeyADJKNSRHKVHZFR-UHFFFAOYSA-N
XLogP1.54
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 80725960
4-chloro-2-methyl-6-(1-thiophen-3-ylethylamino)pyrimidine-5-carbaldehyde
CID 80726659
4-(but-3-yn-2-ylamino)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 106196454
3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282806
4-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80725812
4-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 114177385
methyl 2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80732785
5-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 102975953
4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
CID 80732783
4-chloro-2-methyl-6-(1H-pyrazol-5-ylmethylamino)pyrimidine-5-carbaldehyde
CID 106194341
4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde
CID 106193412
5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114168058

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde (CID 114168046) is 4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(NC(C)c2ncn[nH]2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
The InChIKey is ADJKNSRHKVHZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O/c1-5(9-12-4-13-17-9)14-10-7(3-18)8(11)15-6(2)16-10/h3-5H,1-2H3,(H,12,13,17)(H,14,15,16).
What are the key properties of 4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde has a molecular weight of 266.69 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 114168046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).