4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde

C13H14ClN3O2 — CID 80731733

IUPAC4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde
SMILESCCN(Cc1ccco1)c1nc(C)nc(Cl)c1C=O
InChIInChI=1S/C13H14ClN3O2/c1-3-17(7-10-5-4-6-19-10)13-11(8-18)12(14)15-9(2)16-13/h4-6,8H,3,7H2,1-2H3
InChIKeyNSPHPTQKYVKPHZ-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.87
Rot. Bonds5

About 4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde (PubChem CID 80731733) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde
PubChem CID80731733
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde
SMILESCCN(Cc1ccco1)c1nc(C)nc(Cl)c1C=O
InChIInChI=1S/C13H14ClN3O2/c1-3-17(7-10-5-4-6-19-10)13-11(8-18)12(14)15-9(2)16-13/h4-6,8H,3,7H2,1-2H3
InChIKeyNSPHPTQKYVKPHZ-UHFFFAOYSA-N
XLogP2.87
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde
CID 102389135
2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 114043650
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 104787205
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine
CID 80796190
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796536
3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid
CID 80516869
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde
CID 61423708
4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80732277
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995311
3-(N-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)anilino)propanenitrile
CID 80725914

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde (CID 80731733) is 4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde is CCN(Cc1ccco1)c1nc(C)nc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is NSPHPTQKYVKPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-17(7-10-5-4-6-19-10)13-11(8-18)12(14)15-9(2)16-13/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 279.73 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 80731733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).