N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

C14H21N3O — CID 116731176

IUPACN-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCOC(c1nc(C)cc(CNC2CC2)n1)C1CC1
InChIInChI=1S/C14H21N3O/c1-9-7-12(8-15-11-5-6-11)17-14(16-9)13(18-2)10-3-4-10/h7,10-11,13,15H,3-6,8H2,1-2H3
InChIKeyXTMMZUHDEOGTPC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.13
Rot. Bonds6

About N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 116731176) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID116731176
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCOC(c1nc(C)cc(CNC2CC2)n1)C1CC1
InChIInChI=1S/C14H21N3O/c1-9-7-12(8-15-11-5-6-11)17-14(16-9)13(18-2)10-3-4-10/h7,10-11,13,15H,3-6,8H2,1-2H3
InChIKeyXTMMZUHDEOGTPC-UHFFFAOYSA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 116778665
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731170
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727926
2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
CID 116775559
N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221355
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62746575
N-[[6-methyl-2-(2-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221207
N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 104611857
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-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine
CID 114221349

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (CID 116731176) is N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is COC(c1nc(C)cc(CNC2CC2)n1)C1CC1.
What is the InChIKey of N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is XTMMZUHDEOGTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-7-12(8-15-11-5-6-11)17-14(16-9)13(18-2)10-3-4-10/h7,10-11,13,15H,3-6,8H2,1-2H3.
What are the key properties of N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 247.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116731176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).