4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde

C10H9ClN4OS — CID 66369207

IUPAC4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde
SMILESCc1ncsc1CNc1ncnc(Cl)c1C=O
InChIInChI=1S/C10H9ClN4OS/c1-6-8(17-5-15-6)2-12-10-7(3-16)9(11)13-4-14-10/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyREGRTWJNQTWHEM-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.32
Rot. Bonds4

About 4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde

4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde (PubChem CID 66369207) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde
PubChem CID66369207
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde
SMILESCc1ncsc1CNc1ncnc(Cl)c1C=O
InChIInChI=1S/C10H9ClN4OS/c1-6-8(17-5-15-6)2-12-10-7(3-16)9(11)13-4-14-10/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyREGRTWJNQTWHEM-UHFFFAOYSA-N
XLogP2.32
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409
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
5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 114072292
4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde
CID 106196551
4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde
CID 66368178
4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 82873974
6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79557730
4-chloro-6-[[1-(dimethylamino)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde
CID 105419815
4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde
CID 66366320
4-chloro-6-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-5-carbaldehyde
CID 66367585

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde (CID 66369207) is 4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde is Cc1ncsc1CNc1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde?
The InChIKey is REGRTWJNQTWHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c1-6-8(17-5-15-6)2-12-10-7(3-16)9(11)13-4-14-10/h3-5H,2H2,1H3,(H,12,13,14).
What are the key properties of 4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde?
4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde has a molecular weight of 268.73 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66369207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).