[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine

C15H17ClN4 — CID 103279291

IUPAC[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4/c16-12-5-3-11(4-6-12)14-7-8-18-15(19-14)20-9-1-2-13(20)10-17/h3-8,13H,1-2,9-10,17H2
InChIKeyLZIVEOISALCJAU-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.72
Rot. Bonds3

About [1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine

[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine (PubChem CID 103279291) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is [1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
PubChem CID103279291
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4/c16-12-5-3-11(4-6-12)14-7-8-18-15(19-14)20-9-1-2-13(20)10-17/h3-8,13H,1-2,9-10,17H2
InChIKeyLZIVEOISALCJAU-UHFFFAOYSA-N
XLogP2.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine (CID 103279291) is [1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine is NCC1CCCN1c1nccc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The InChIKey is LZIVEOISALCJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-12-5-3-11(4-6-12)14-7-8-18-15(19-14)20-9-1-2-13(20)10-17/h3-8,13H,1-2,9-10,17H2.
What are the key properties of [1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine has a molecular weight of 288.78 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 103279291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).