4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde

C10H10ClN5O — CID 80726984

IUPAC4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(Nc2cnn(C)c2)n1
InChIInChI=1S/C10H10ClN5O/c1-6-13-9(11)8(5-17)10(14-6)15-7-3-12-16(2)4-7/h3-5H,1-2H3,(H,13,14,15)
InChIKeyNUYAULZNJIEJOM-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.73
Rot. Bonds3

About 4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde (PubChem CID 80726984) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
PubChem CID80726984
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(Nc2cnn(C)c2)n1
InChIInChI=1S/C10H10ClN5O/c1-6-13-9(11)8(5-17)10(14-6)15-7-3-12-16(2)4-7/h3-5H,1-2H3,(H,13,14,15)
InChIKeyNUYAULZNJIEJOM-UHFFFAOYSA-N
XLogP1.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde (CID 80726984) is 4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(Nc2cnn(C)c2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is NUYAULZNJIEJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-6-13-9(11)8(5-17)10(14-6)15-7-3-12-16(2)4-7/h3-5H,1-2H3,(H,13,14,15).
What are the key properties of 4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 251.68 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 80726984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).