N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C16H24N6O — CID 50973340

IUPACN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCNc1ncc(CN(C)C(=O)C(C)n2ccnc2C(C)C)cn1
InChIInChI=1S/C16H24N6O/c1-11(2)14-18-6-7-22(14)12(3)15(23)21(5)10-13-8-19-16(17-4)20-9-13/h6-9,11-12H,10H2,1-5H3,(H,17,19,20)
InChIKeyOXQOATHAFMRLOW-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.06
Rot. Bonds6

About N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 50973340) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID50973340
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCNc1ncc(CN(C)C(=O)C(C)n2ccnc2C(C)C)cn1
InChIInChI=1S/C16H24N6O/c1-11(2)14-18-6-7-22(14)12(3)15(23)21(5)10-13-8-19-16(17-4)20-9-13/h6-9,11-12H,10H2,1-5H3,(H,17,19,20)
InChIKeyOXQOATHAFMRLOW-UHFFFAOYSA-N
XLogP2.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 50973340) is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is CNc1ncc(CN(C)C(=O)C(C)n2ccnc2C(C)C)cn1.
What is the InChIKey of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is OXQOATHAFMRLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11(2)14-18-6-7-22(14)12(3)15(23)21(5)10-13-8-19-16(17-4)20-9-13/h6-9,11-12H,10H2,1-5H3,(H,17,19,20).
What are the key properties of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 316.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 50973340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).