(5-chloro-2-pyrimidin-5-ylphenyl)methanamine

C11H10ClN3 — CID 66160696

IUPAC(5-chloro-2-pyrimidin-5-ylphenyl)methanamine
SMILESNCc1cc(Cl)ccc1-c1cncnc1
InChIInChI=1S/C11H10ClN3/c12-10-1-2-11(8(3-10)4-13)9-5-14-7-15-6-9/h1-3,5-7H,4,13H2
InChIKeyUGQAOOGAVRKGTG-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.26
Rot. Bonds2

About (5-chloro-2-pyrimidin-5-ylphenyl)methanamine

(5-chloro-2-pyrimidin-5-ylphenyl)methanamine (PubChem CID 66160696) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is (5-chloro-2-pyrimidin-5-ylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-pyrimidin-5-ylphenyl)methanamine
PubChem CID66160696
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name(5-chloro-2-pyrimidin-5-ylphenyl)methanamine
SMILESNCc1cc(Cl)ccc1-c1cncnc1
InChIInChI=1S/C11H10ClN3/c12-10-1-2-11(8(3-10)4-13)9-5-14-7-15-6-9/h1-3,5-7H,4,13H2
InChIKeyUGQAOOGAVRKGTG-UHFFFAOYSA-N
XLogP2.26
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyrimidin-5-ylphenyl)methanamine?
The IUPAC name of (5-chloro-2-pyrimidin-5-ylphenyl)methanamine (CID 66160696) is (5-chloro-2-pyrimidin-5-ylphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-pyrimidin-5-ylphenyl)methanamine?
The canonical SMILES for (5-chloro-2-pyrimidin-5-ylphenyl)methanamine is NCc1cc(Cl)ccc1-c1cncnc1.
What is the InChIKey of (5-chloro-2-pyrimidin-5-ylphenyl)methanamine?
The InChIKey is UGQAOOGAVRKGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-10-1-2-11(8(3-10)4-13)9-5-14-7-15-6-9/h1-3,5-7H,4,13H2.
What are the key properties of (5-chloro-2-pyrimidin-5-ylphenyl)methanamine?
(5-chloro-2-pyrimidin-5-ylphenyl)methanamine has a molecular weight of 219.68 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyrimidin-5-ylphenyl)methanamine is sourced from PubChem (CID 66160696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).