4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde

C12H10ClN3O2 — CID 106196551

IUPAC4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NCc1ccccc1O
InChIInChI=1S/C12H10ClN3O2/c13-11-9(6-17)12(16-7-15-11)14-5-8-3-1-2-4-10(8)18/h1-4,6-7,18H,5H2,(H,14,15,16)
InChIKeyWVULUUUHJZSNAR-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.26
Rot. Bonds4

About 4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde

4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde (PubChem CID 106196551) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde
PubChem CID106196551
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NCc1ccccc1O
InChIInChI=1S/C12H10ClN3O2/c13-11-9(6-17)12(16-7-15-11)14-5-8-3-1-2-4-10(8)18/h1-4,6-7,18H,5H2,(H,14,15,16)
InChIKeyWVULUUUHJZSNAR-UHFFFAOYSA-N
XLogP2.26
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-[[2-(ethoxymethyl)phenyl]methylamino]pyrimidine-5-carbaldehyde
CID 106192866
4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 79756018
4-chloro-6-[(2,5-difluorophenyl)methylamino]pyrimidine-5-carbaldehyde
CID 66366956
N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide
CID 106193036
4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde
CID 106193197
4-chloro-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-5-carbaldehyde
CID 106193137
4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66369011
4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 82873974
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
4-chloro-6-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-5-carbaldehyde
CID 66367585
4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66369207
4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde
CID 66368178

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde (CID 106196551) is 4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1NCc1ccccc1O.
What is the InChIKey of 4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde?
The InChIKey is WVULUUUHJZSNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-11-9(6-17)12(16-7-15-11)14-5-8-3-1-2-4-10(8)18/h1-4,6-7,18H,5H2,(H,14,15,16).
What are the key properties of 4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde?
4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde has a molecular weight of 263.68 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 106196551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).