N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide

C13H23N5O — CID 106917983

IUPACN,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)Cc1nc(C)cc(NC)n1
InChIInChI=1S/C13H23N5O/c1-9(13(19)15-4)7-18(5)8-12-16-10(2)6-11(14-3)17-12/h6,9H,7-8H2,1-5H3,(H,15,19)(H,14,16,17)
InChIKeyPPVVMKVSUBYLDE-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.64
Rot. Bonds6

About N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide

N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide (PubChem CID 106917983) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide
PubChem CID106917983
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)Cc1nc(C)cc(NC)n1
InChIInChI=1S/C13H23N5O/c1-9(13(19)15-4)7-18(5)8-12-16-10(2)6-11(14-3)17-12/h6,9H,7-8H2,1-5H3,(H,15,19)(H,14,16,17)
InChIKeyPPVVMKVSUBYLDE-UHFFFAOYSA-N
XLogP0.64
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide (CID 106917983) is N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide is CNC(=O)C(C)CN(C)Cc1nc(C)cc(NC)n1.
What is the InChIKey of N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide?
The InChIKey is PPVVMKVSUBYLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9(13(19)15-4)7-18(5)8-12-16-10(2)6-11(14-3)17-12/h6,9H,7-8H2,1-5H3,(H,15,19)(H,14,16,17).
What are the key properties of N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide?
N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide is sourced from PubChem (CID 106917983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).