1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine

C17H20ClN3 — CID 16672085

IUPAC1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
SMILESCC(C)c1ncc(CNC2(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C17H20ClN3/c1-12(2)16-19-9-13(10-20-16)11-21-17(7-8-17)14-3-5-15(18)6-4-14/h3-6,9-10,12,21H,7-8,11H2,1-2H3
InChIKeyQEYMKMNZBBUSDJ-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.03
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine

1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine (PubChem CID 16672085) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
PubChem CID16672085
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
SMILESCC(C)c1ncc(CNC2(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C17H20ClN3/c1-12(2)16-19-9-13(10-20-16)11-21-17(7-8-17)14-3-5-15(18)6-4-14/h3-6,9-10,12,21H,7-8,11H2,1-2H3
InChIKeyQEYMKMNZBBUSDJ-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine (CID 16672085) is 1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine is CC(C)c1ncc(CNC2(c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is QEYMKMNZBBUSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-12(2)16-19-9-13(10-20-16)11-21-17(7-8-17)14-3-5-15(18)6-4-14/h3-6,9-10,12,21H,7-8,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 301.82 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 16672085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).