1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine

C12H12ClN3 — CID 62490874

IUPAC1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine
SMILESCC(N)(c1cncnc1)c1ccccc1Cl
InChIInChI=1S/C12H12ClN3/c1-12(14,9-6-15-8-16-7-9)10-4-2-3-5-11(10)13/h2-8H,14H2,1H3
InChIKeyABHHRWHEBGIGQC-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.35
Rot. Bonds2

About 1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine

1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine (PubChem CID 62490874) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine
PubChem CID62490874
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine
SMILESCC(N)(c1cncnc1)c1ccccc1Cl
InChIInChI=1S/C12H12ClN3/c1-12(14,9-6-15-8-16-7-9)10-4-2-3-5-11(10)13/h2-8H,14H2,1H3
InChIKeyABHHRWHEBGIGQC-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine (CID 62490874) is 1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine is CC(N)(c1cncnc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine?
The InChIKey is ABHHRWHEBGIGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-12(14,9-6-15-8-16-7-9)10-4-2-3-5-11(10)13/h2-8H,14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine?
1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine has a molecular weight of 233.70 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 62490874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).