3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide

C13H19ClN4O — CID 106917456

IUPAC3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H19ClN4O/c1-8-11(14)16-12(9-4-5-9)17-13(8)18(3)7-6-10(19)15-2/h9H,4-7H2,1-3H3,(H,15,19)
InChIKeyRUWKBONKGAUDQJ-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.89
Rot. Bonds5

About 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide

3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 106917456) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID106917456
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H19ClN4O/c1-8-11(14)16-12(9-4-5-9)17-13(8)18(3)7-6-10(19)15-2/h9H,4-7H2,1-3H3,(H,15,19)
InChIKeyRUWKBONKGAUDQJ-UHFFFAOYSA-N
XLogP1.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 106917456) is 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is RUWKBONKGAUDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-8-11(14)16-12(9-4-5-9)17-13(8)18(3)7-6-10(19)15-2/h9H,4-7H2,1-3H3,(H,15,19).
What are the key properties of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 282.77 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106917456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).