N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine

C15H25N3O — CID 104611900

IUPACN-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(C2(OC)CCCC2)nc1C
InChIInChI=1S/C15H25N3O/c1-5-16-10-13-11(2)17-14(18-12(13)3)15(19-4)8-6-7-9-15/h16H,5-10H2,1-4H3
InChIKeyNIGHJDQWFUGPJW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.62
Rot. Bonds5

About N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 104611900) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
PubChem CID104611900
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(C2(OC)CCCC2)nc1C
InChIInChI=1S/C15H25N3O/c1-5-16-10-13-11(2)17-14(18-12(13)3)15(19-4)8-6-7-9-15/h16H,5-10H2,1-4H3
InChIKeyNIGHJDQWFUGPJW-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 104611901
N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731657
N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116731787
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 104611902
N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 116731669
N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 104611897
1-[2-(1-methoxy-4-methylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 116779383
3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
CID 104611568
N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776421
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871
2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745483

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine (CID 104611900) is N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine is CCNCc1c(C)nc(C2(OC)CCCC2)nc1C.
What is the InChIKey of N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is NIGHJDQWFUGPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-16-10-13-11(2)17-14(18-12(13)3)15(19-4)8-6-7-9-15/h16H,5-10H2,1-4H3.
What are the key properties of N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 104611900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).