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

C17H21N3 — CID 62749529

IUPACN-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(-c2nccc(CNC3CC3)n2)cc1
InChIInChI=1S/C17H21N3/c1-12(2)13-3-5-14(6-4-13)17-18-10-9-16(20-17)11-19-15-7-8-15/h3-6,9-10,12,15,19H,7-8,11H2,1-2H3
InChIKeyGFMOHXCLHLQELP-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.52
Rot. Bonds5

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

N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 62749529) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID62749529
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(-c2nccc(CNC3CC3)n2)cc1
InChIInChI=1S/C17H21N3/c1-12(2)13-3-5-14(6-4-13)17-18-10-9-16(20-17)11-19-15-7-8-15/h3-6,9-10,12,15,19H,7-8,11H2,1-2H3
InChIKeyGFMOHXCLHLQELP-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
CID 136938634
N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749008
3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
CID 107921995
N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 82903364
N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53272742
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine
CID 63424453
N-[[2-(4-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62747587
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-[[2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 106849745
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 62749529) is N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine is CC(C)c1ccc(-c2nccc(CNC3CC3)n2)cc1.
What is the InChIKey of N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is GFMOHXCLHLQELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12(2)13-3-5-14(6-4-13)17-18-10-9-16(20-17)11-19-15-7-8-15/h3-6,9-10,12,15,19H,7-8,11H2,1-2H3.
What are the key properties of N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 267.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62749529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).