N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine

C9H8ClN5 — CID 118237983

IUPACN-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1nccc(Nc2nccc(Cl)n2)n1
InChIInChI=1S/C9H8ClN5/c1-6-11-5-3-8(13-6)15-9-12-4-2-7(10)14-9/h2-5H,1H3,(H,11,12,13,14,15)
InChIKeyRIUVUBSSIJLSIG-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.97
Rot. Bonds2

About N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine

N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine (PubChem CID 118237983) has the molecular formula C9H8ClN5 and a molecular weight of 221.65 g/mol. Its IUPAC name is N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine
PubChem CID118237983
Molecular FormulaC9H8ClN5
Molecular Weight221.65 g/mol
Exact Mass221.05
IUPAC NameN-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1nccc(Nc2nccc(Cl)n2)n1
InChIInChI=1S/C9H8ClN5/c1-6-11-5-3-8(13-6)15-9-12-4-2-7(10)14-9/h2-5H,1H3,(H,11,12,13,14,15)
InChIKeyRIUVUBSSIJLSIG-UHFFFAOYSA-N
XLogP1.97
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine (CID 118237983) is N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine is Cc1nccc(Nc2nccc(Cl)n2)n1.
What is the InChIKey of N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine?
The InChIKey is RIUVUBSSIJLSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5/c1-6-11-5-3-8(13-6)15-9-12-4-2-7(10)14-9/h2-5H,1H3,(H,11,12,13,14,15).
What are the key properties of N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine?
N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine has a molecular weight of 221.65 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 118237983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).