N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine

C13H15ClN4 — CID 50948120

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)Cc2ccc(Cl)nc2)n1
InChIInChI=1S/C13H15ClN4/c1-9-6-10(2)17-13(16-9)18(3)8-11-4-5-12(14)15-7-11/h4-7H,8H2,1-3H3
InChIKeyLVTJJBOVYOJGGL-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.78
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine

N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 50948120) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
PubChem CID50948120
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)Cc2ccc(Cl)nc2)n1
InChIInChI=1S/C13H15ClN4/c1-9-6-10(2)17-13(16-9)18(3)8-11-4-5-12(14)15-7-11/h4-7H,8H2,1-3H3
InChIKeyLVTJJBOVYOJGGL-UHFFFAOYSA-N
XLogP2.78
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine (CID 50948120) is N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine is Cc1cc(C)nc(N(C)Cc2ccc(Cl)nc2)n1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is LVTJJBOVYOJGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-9-6-10(2)17-13(16-9)18(3)8-11-4-5-12(14)15-7-11/h4-7H,8H2,1-3H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine?
N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 50948120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).