4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde

C10H10ClN5O — CID 106193412

IUPAC4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NCc2cn[nH]c2)n1
InChIInChI=1S/C10H10ClN5O/c1-6-15-9(11)8(5-17)10(16-6)12-2-7-3-13-14-4-7/h3-5H,2H2,1H3,(H,13,14)(H,12,15,16)
InChIKeyHMKODLMZHOJPSN-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.59
Rot. Bonds4

About 4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde (PubChem CID 106193412) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde
PubChem CID106193412
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NCc2cn[nH]c2)n1
InChIInChI=1S/C10H10ClN5O/c1-6-15-9(11)8(5-17)10(16-6)12-2-7-3-13-14-4-7/h3-5H,2H2,1H3,(H,13,14)(H,12,15,16)
InChIKeyHMKODLMZHOJPSN-UHFFFAOYSA-N
XLogP1.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde (CID 106193412) is 4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(NCc2cn[nH]c2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde?
The InChIKey is HMKODLMZHOJPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-6-15-9(11)8(5-17)10(16-6)12-2-7-3-13-14-4-7/h3-5H,2H2,1H3,(H,13,14)(H,12,15,16).
What are the key properties of 4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde has a molecular weight of 251.68 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 106193412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).