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

C14H21ClN4O — CID 106917517

IUPAC3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H21ClN4O/c1-8(14(20)16-3)7-19(4)13-9(2)11(15)17-12(18-13)10-5-6-10/h8,10H,5-7H2,1-4H3,(H,16,20)
InChIKeyLRRYZDVETNMGKY-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.13
Rot. Bonds5

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

3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106917517) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106917517
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H21ClN4O/c1-8(14(20)16-3)7-19(4)13-9(2)11(15)17-12(18-13)10-5-6-10/h8,10H,5-7H2,1-4H3,(H,16,20)
InChIKeyLRRYZDVETNMGKY-UHFFFAOYSA-N
XLogP2.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.13
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,2-dimethylpropanamide?
The IUPAC name of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (CID 106917517) is 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is LRRYZDVETNMGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-8(14(20)16-3)7-19(4)13-9(2)11(15)17-12(18-13)10-5-6-10/h8,10H,5-7H2,1-4H3,(H,16,20).
What are the key properties of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 2.13, 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,2-dimethylpropanamide is sourced from PubChem (CID 106917517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).