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

C16H27N3O — CID 104611901

IUPACN-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nc(C2(OC)CCCC2)nc1C
InChIInChI=1S/C16H27N3O/c1-5-10-17-11-14-12(2)18-15(19-13(14)3)16(20-4)8-6-7-9-16/h17H,5-11H2,1-4H3
InChIKeyWULSDGNJNGCLNS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.01
Rot. Bonds6

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

N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 104611901) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
PubChem CID104611901
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nc(C2(OC)CCCC2)nc1C
InChIInChI=1S/C16H27N3O/c1-5-10-17-11-14-12(2)18-15(19-13(14)3)16(20-4)8-6-7-9-16/h17H,5-11H2,1-4H3
InChIKeyWULSDGNJNGCLNS-UHFFFAOYSA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.01
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

N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 116731669
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-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731657
2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 104611897
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
1-[2-(1-methoxy-4-methylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 116779383
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 116776378
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine (CID 104611901) is N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1c(C)nc(C2(OC)CCCC2)nc1C.
What is the InChIKey of N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is WULSDGNJNGCLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-10-17-11-14-12(2)18-15(19-13(14)3)16(20-4)8-6-7-9-16/h17H,5-11H2,1-4H3.
What are the key properties of N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.01, 6 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]propan-1-amine is sourced from PubChem (CID 104611901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).