6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine

C15H18ClN3O — CID 79238156

IUPAC6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCOc2ccccc2)n1
InChIInChI=1S/C15H18ClN3O/c1-3-13-18-14(16)11(2)15(19-13)17-9-10-20-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyXWGZXNKBLBFWSL-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.49
Rot. Bonds6

About 6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine (PubChem CID 79238156) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
PubChem CID79238156
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCOc2ccccc2)n1
InChIInChI=1S/C15H18ClN3O/c1-3-13-18-14(16)11(2)15(19-13)17-9-10-20-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyXWGZXNKBLBFWSL-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine
CID 63271688
6-hydrazinyl-2,5-dimethyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80900531
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80972684
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
6-N,5-diethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80791055
5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 117085027
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63734406
5-methyl-4-N-(2-phenoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983631
6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 103820075
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine (CID 79238156) is 6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCCOc2ccccc2)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine?
The InChIKey is XWGZXNKBLBFWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-13-18-14(16)11(2)15(19-13)17-9-10-20-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 79238156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).