[2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine

C12H11Cl2N3 — CID 62757848

IUPAC[2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine
SMILESNCc1cnc(Cc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C12H11Cl2N3/c13-10-2-1-3-11(14)9(10)4-12-16-6-8(5-15)7-17-12/h1-3,6-7H,4-5,15H2
InChIKeyKFTXDGVSTRSAGL-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.83
Rot. Bonds3

About [2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine

[2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine (PubChem CID 62757848) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is [2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine
PubChem CID62757848
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name[2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine
SMILESNCc1cnc(Cc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C12H11Cl2N3/c13-10-2-1-3-11(14)9(10)4-12-16-6-8(5-15)7-17-12/h1-3,6-7H,4-5,15H2
InChIKeyKFTXDGVSTRSAGL-UHFFFAOYSA-N
XLogP2.83
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine?
The IUPAC name of [2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine (CID 62757848) is [2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine is NCc1cnc(Cc2c(Cl)cccc2Cl)nc1.
What is the InChIKey of [2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine?
The InChIKey is KFTXDGVSTRSAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c13-10-2-1-3-11(14)9(10)4-12-16-6-8(5-15)7-17-12/h1-3,6-7H,4-5,15H2.
What are the key properties of [2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine?
[2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine has a molecular weight of 268.15 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 62757848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).