3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one

C13H19ClN4O — CID 106257553

IUPAC3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCCCc1nc(Cl)c(C)c(NC2CCN(C)C2=O)n1
InChIInChI=1S/C13H19ClN4O/c1-4-5-10-16-11(14)8(2)12(17-10)15-9-6-7-18(3)13(9)19/h9H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyNHZZTEMRBRWIMH-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.03
Rot. Bonds4

About 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one

3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106257553) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID106257553
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCCCc1nc(Cl)c(C)c(NC2CCN(C)C2=O)n1
InChIInChI=1S/C13H19ClN4O/c1-4-5-10-16-11(14)8(2)12(17-10)15-9-6-7-18(3)13(9)19/h9H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyNHZZTEMRBRWIMH-UHFFFAOYSA-N
XLogP2.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one (CID 106257553) is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one is CCCc1nc(Cl)c(C)c(NC2CCN(C)C2=O)n1.
What is the InChIKey of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is NHZZTEMRBRWIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-4-5-10-16-11(14)8(2)12(17-10)15-9-6-7-18(3)13(9)19/h9H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 282.77 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106257553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).