5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine

C16H13Cl2N5 — CID 3379829

IUPAC5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine
SMILESNc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N5/c17-10-5-4-9(12(18)8-10)7-11-14(19)22-16(23-15(11)20)13-3-1-2-6-21-13/h1-6,8H,7H2,(H4,19,20,22,23)
InChIKeyLUGXKWLXOYRDIS-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.60
Rot. Bonds3

About 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine

5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine (PubChem CID 3379829) has the molecular formula C16H13Cl2N5 and a molecular weight of 346.22 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine
PubChem CID3379829
Molecular FormulaC16H13Cl2N5
Molecular Weight346.22 g/mol
Exact Mass345.05
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine
SMILESNc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N5/c17-10-5-4-9(12(18)8-10)7-11-14(19)22-16(23-15(11)20)13-3-1-2-6-21-13/h1-6,8H,7H2,(H4,19,20,22,23)
InChIKeyLUGXKWLXOYRDIS-UHFFFAOYSA-N
XLogP3.60
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine (CID 3379829) is 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine is Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
The InChIKey is LUGXKWLXOYRDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5/c17-10-5-4-9(12(18)8-10)7-11-14(19)22-16(23-15(11)20)13-3-1-2-6-21-13/h1-6,8H,7H2,(H4,19,20,22,23).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine has a molecular weight of 346.22 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 3379829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).