N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

C16H27N3O — CID 116731170

IUPACN-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCCOC(c1nc(C)cc(CNC2CC2)n1)C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-6-20-14(16(3,4)5)15-18-11(2)9-13(19-15)10-17-12-7-8-12/h9,12,14,17H,6-8,10H2,1-5H3
InChIKeyIFBGLSWKWNAVBW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.16
Rot. Bonds6

About N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 116731170) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID116731170
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCCOC(c1nc(C)cc(CNC2CC2)n1)C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-6-20-14(16(3,4)5)15-18-11(2)9-13(19-15)10-17-12-7-8-12/h9,12,14,17H,6-8,10H2,1-5H3
InChIKeyIFBGLSWKWNAVBW-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727927
N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731176
N-[[6-methyl-2-(2-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221207
N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221355
N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 64533425
N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine
CID 114221349
4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
CID 116706766
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62746577
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678
N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62746575
N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 104611857
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (CID 116731170) is N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is CCOC(c1nc(C)cc(CNC2CC2)n1)C(C)(C)C.
What is the InChIKey of N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is IFBGLSWKWNAVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-20-14(16(3,4)5)15-18-11(2)9-13(19-15)10-17-12-7-8-12/h9,12,14,17H,6-8,10H2,1-5H3.
What are the key properties of N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116731170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).