5-benzyl-4-chloro-6-methylpyrimidin-2-amine

C12H12ClN3 — CID 820238

IUPAC5-benzyl-4-chloro-6-methylpyrimidin-2-amine
SMILESCc1nc(N)nc(Cl)c1Cc1ccccc1
InChIInChI=1S/C12H12ClN3/c1-8-10(11(13)16-12(14)15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyNUGQOZJAWOOGSB-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.61
Rot. Bonds2

About 5-benzyl-4-chloro-6-methylpyrimidin-2-amine

5-benzyl-4-chloro-6-methylpyrimidin-2-amine (PubChem CID 820238) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-benzyl-4-chloro-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-benzyl-4-chloro-6-methylpyrimidin-2-amine
PubChem CID820238
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name5-benzyl-4-chloro-6-methylpyrimidin-2-amine
SMILESCc1nc(N)nc(Cl)c1Cc1ccccc1
InChIInChI=1S/C12H12ClN3/c1-8-10(11(13)16-12(14)15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyNUGQOZJAWOOGSB-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-chloro-6-methylpyrimidin-2-amine?
The IUPAC name of 5-benzyl-4-chloro-6-methylpyrimidin-2-amine (CID 820238) is 5-benzyl-4-chloro-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-benzyl-4-chloro-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-benzyl-4-chloro-6-methylpyrimidin-2-amine is Cc1nc(N)nc(Cl)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-chloro-6-methylpyrimidin-2-amine?
The InChIKey is NUGQOZJAWOOGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8-10(11(13)16-12(14)15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,15,16).
What are the key properties of 5-benzyl-4-chloro-6-methylpyrimidin-2-amine?
5-benzyl-4-chloro-6-methylpyrimidin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-chloro-6-methylpyrimidin-2-amine is sourced from PubChem (CID 820238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).