N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine

C16H27N3O — CID 116731696

IUPACN-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
SMILESCOC(c1nc(C)c(CCNC2CC2)c(C)n1)C(C)C
InChIInChI=1S/C16H27N3O/c1-10(2)15(20-5)16-18-11(3)14(12(4)19-16)8-9-17-13-6-7-13/h10,13,15,17H,6-9H2,1-5H3
InChIKeyFKOQQIVHJNVQFE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds7

About N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine

N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine (PubChem CID 116731696) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
PubChem CID116731696
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
SMILESCOC(c1nc(C)c(CCNC2CC2)c(C)n1)C(C)C
InChIInChI=1S/C16H27N3O/c1-10(2)15(20-5)16-18-11(3)14(12(4)19-16)8-9-17-13-6-7-13/h10,13,15,17H,6-9H2,1-5H3
InChIKeyFKOQQIVHJNVQFE-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 116731705
N-[2-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 116731690
N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731643
2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731574
N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731637
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769
N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731735
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 65399429
N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine
CID 80637259
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 115337427
N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62744044

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine (CID 116731696) is N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine is COC(c1nc(C)c(CCNC2CC2)c(C)n1)C(C)C.
What is the InChIKey of N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine?
The InChIKey is FKOQQIVHJNVQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10(2)15(20-5)16-18-11(3)14(12(4)19-16)8-9-17-13-6-7-13/h10,13,15,17H,6-9H2,1-5H3.
What are the key properties of N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine?
N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 116731696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).