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

C13H23N5O — CID 106918601

IUPAC3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCCc1nc(N)c(C)c(N(C)CC(C)C(=O)NC)n1
InChIInChI=1S/C13H23N5O/c1-6-10-16-11(14)9(3)12(17-10)18(5)7-8(2)13(19)15-4/h8H,6-7H2,1-5H3,(H,15,19)(H2,14,16,17)
InChIKeyBLUGEMGJBMIEAC-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.75
Rot. Bonds5

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

3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106918601) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106918601
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCCc1nc(N)c(C)c(N(C)CC(C)C(=O)NC)n1
InChIInChI=1S/C13H23N5O/c1-6-10-16-11(14)9(3)12(17-10)18(5)7-8(2)13(19)15-4/h8H,6-7H2,1-5H3,(H,15,19)(H2,14,16,17)
InChIKeyBLUGEMGJBMIEAC-UHFFFAOYSA-N
XLogP0.75
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (CID 106918601) is 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is CCc1nc(N)c(C)c(N(C)CC(C)C(=O)NC)n1.
What is the InChIKey of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is BLUGEMGJBMIEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-6-10-16-11(14)9(3)12(17-10)18(5)7-8(2)13(19)15-4/h8H,6-7H2,1-5H3,(H,15,19)(H2,14,16,17).
What are the key properties of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).