N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine

C15H25N3O2 — CID 43709373

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1c(OC)ncnc1OC
InChIInChI=1S/C15H25N3O2/c1-4-11-7-5-6-8-13(11)16-9-12-14(19-2)17-10-18-15(12)20-3/h10-11,13,16H,4-9H2,1-3H3
InChIKeyXHSXSCHIZPPCHU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.55
Rot. Bonds6

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine (PubChem CID 43709373) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine
PubChem CID43709373
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1c(OC)ncnc1OC
InChIInChI=1S/C15H25N3O2/c1-4-11-7-5-6-8-13(11)16-9-12-14(19-2)17-10-18-15(12)20-3/h10-11,13,16H,4-9H2,1-3H3
InChIKeyXHSXSCHIZPPCHU-UHFFFAOYSA-N
XLogP2.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine
CID 62086943
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine
CID 62396326
4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine
CID 55062386
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43552190
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61170965
2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 60919921
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclopentan-1-amine
CID 113260129
2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 62403355
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1,1-dioxothian-4-amine
CID 43615022
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine (CID 43709373) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine is CCC1CCCCC1NCc1c(OC)ncnc1OC.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine?
The InChIKey is XHSXSCHIZPPCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-11-7-5-6-8-13(11)16-9-12-14(19-2)17-10-18-15(12)20-3/h10-11,13,16H,4-9H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 43709373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).