5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

C10H13ClN4O — CID 79073907

IUPAC5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1cnc(Cl)nc1NCC1CCC(=O)N1
InChIInChI=1S/C10H13ClN4O/c1-6-4-13-10(11)15-9(6)12-5-7-2-3-8(16)14-7/h4,7H,2-3,5H2,1H3,(H,14,16)(H,12,13,15)
InChIKeySDZAGOBLAVNYIZ-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.13
Rot. Bonds3

About 5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 79073907) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
PubChem CID79073907
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1cnc(Cl)nc1NCC1CCC(=O)N1
InChIInChI=1S/C10H13ClN4O/c1-6-4-13-10(11)15-9(6)12-5-7-2-3-8(16)14-7/h4,7H,2-3,5H2,1H3,(H,14,16)(H,12,13,15)
InChIKeySDZAGOBLAVNYIZ-UHFFFAOYSA-N
XLogP1.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (CID 79073907) is 5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is Cc1cnc(Cl)nc1NCC1CCC(=O)N1.
What is the InChIKey of 5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is SDZAGOBLAVNYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6-4-13-10(11)15-9(6)12-5-7-2-3-8(16)14-7/h4,7H,2-3,5H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of 5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 240.69 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 79073907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).