N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine

C8H9Cl2N3 — CID 53385527

IUPACN-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine
SMILESClc1ncc(CNC2CC2)c(Cl)n1
InChIInChI=1S/C8H9Cl2N3/c9-7-5(3-11-6-1-2-6)4-12-8(10)13-7/h4,6,11H,1-3H2
InChIKeyZYGWOEBYMNQBTB-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.04
Rot. Bonds3

About N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine

N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine (PubChem CID 53385527) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine
PubChem CID53385527
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC NameN-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine
SMILESClc1ncc(CNC2CC2)c(Cl)n1
InChIInChI=1S/C8H9Cl2N3/c9-7-5(3-11-6-1-2-6)4-12-8(10)13-7/h4,6,11H,1-3H2
InChIKeyZYGWOEBYMNQBTB-UHFFFAOYSA-N
XLogP2.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine (CID 53385527) is N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine is Clc1ncc(CNC2CC2)c(Cl)n1.
What is the InChIKey of N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine?
The InChIKey is ZYGWOEBYMNQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3/c9-7-5(3-11-6-1-2-6)4-12-8(10)13-7/h4,6,11H,1-3H2.
What are the key properties of N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine?
N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine has a molecular weight of 218.09 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 53385527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).