2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

C11H12ClN5 — CID 79073684

IUPAC2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2nc(Cl)ncc2C)cn1
InChIInChI=1S/C11H12ClN5/c1-7-3-16-11(12)17-10(7)15-6-9-5-13-8(2)4-14-9/h3-5H,6H2,1-2H3,(H,15,16,17)
InChIKeyDZOLOFCKHNSILG-UHFFFAOYSA-N
MW249.71 g/mol
LogP2.15
Rot. Bonds3

About 2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 79073684) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
PubChem CID79073684
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC Name2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2nc(Cl)ncc2C)cn1
InChIInChI=1S/C11H12ClN5/c1-7-3-16-11(12)17-10(7)15-6-9-5-13-8(2)4-14-9/h3-5H,6H2,1-2H3,(H,15,16,17)
InChIKeyDZOLOFCKHNSILG-UHFFFAOYSA-N
XLogP2.15
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (CID 79073684) is 2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is Cc1cnc(CNc2nc(Cl)ncc2C)cn1.
What is the InChIKey of 2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is DZOLOFCKHNSILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c1-7-3-16-11(12)17-10(7)15-6-9-5-13-8(2)4-14-9/h3-5H,6H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 249.71 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79073684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).