N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine

C16H19N3 — CID 62749177

IUPACN-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESc1ccc(CCc2nccc(CNC3CC3)n2)cc1
InChIInChI=1S/C16H19N3/c1-2-4-13(5-3-1)6-9-16-17-11-10-15(19-16)12-18-14-7-8-14/h1-5,10-11,14,18H,6-9,12H2
InChIKeyULESACYAUABYTM-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.51
Rot. Bonds6

About N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 62749177) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID62749177
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESc1ccc(CCc2nccc(CNC3CC3)n2)cc1
InChIInChI=1S/C16H19N3/c1-2-4-13(5-3-1)6-9-16-17-11-10-15(19-16)12-18-14-7-8-14/h1-5,10-11,14,18H,6-9,12H2
InChIKeyULESACYAUABYTM-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine
CID 66145080
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749345
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine
CID 55119707
N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449855
N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
CID 63318876
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65405051
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
CID 107921995

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 62749177) is N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine is c1ccc(CCc2nccc(CNC3CC3)n2)cc1.
What is the InChIKey of N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is ULESACYAUABYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-4-13(5-3-1)6-9-16-17-11-10-15(19-16)12-18-14-7-8-14/h1-5,10-11,14,18H,6-9,12H2.
What are the key properties of N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 253.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62749177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).