6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine

C15H24ClN3O — CID 80972684

IUPAC6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCOC2CCCCC2)n1
InChIInChI=1S/C15H24ClN3O/c1-3-13-18-14(16)11(2)15(19-13)17-9-10-20-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyKVAJFYSNIAFFJL-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.76
Rot. Bonds6

About 6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine

6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80972684) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80972684
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCOC2CCCCC2)n1
InChIInChI=1S/C15H24ClN3O/c1-3-13-18-14(16)11(2)15(19-13)17-9-10-20-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyKVAJFYSNIAFFJL-UHFFFAOYSA-N
XLogP3.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.76
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-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 79557700
6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
CID 80971890
[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80977885
6-chloro-2-ethyl-5-methyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972304
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148545
6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 133381990
4-N-cycloheptyl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80985784
6-chloro-2-ethyl-5-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80970511
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine (CID 80972684) is 6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCCOC2CCCCC2)n1.
What is the InChIKey of 6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is KVAJFYSNIAFFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-13-18-14(16)11(2)15(19-13)17-9-10-20-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine?
6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 297.83 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80972684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).