3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide

C14H25N5O2 — CID 106918706

IUPAC3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCCOCc1nc(NC)cc(N(C)CC(C)C(=O)NC)n1
InChIInChI=1S/C14H25N5O2/c1-6-21-9-12-17-11(15-3)7-13(18-12)19(5)8-10(2)14(20)16-4/h7,10H,6,8-9H2,1-5H3,(H,16,20)(H,15,17,18)
InChIKeyWQNYTLJEJXJGAA-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.87
Rot. Bonds8

About 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide

3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106918706) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106918706
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCCOCc1nc(NC)cc(N(C)CC(C)C(=O)NC)n1
InChIInChI=1S/C14H25N5O2/c1-6-21-9-12-17-11(15-3)7-13(18-12)19(5)8-10(2)14(20)16-4/h7,10H,6,8-9H2,1-5H3,(H,16,20)(H,15,17,18)
InChIKeyWQNYTLJEJXJGAA-UHFFFAOYSA-N
XLogP0.87
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918557
N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 106918708
N,2-dimethyl-3-[methyl-[6-(methylamino)pyrazin-2-yl]amino]propanamide
CID 106918612
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918798
N,2-dimethyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106918632
N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide
CID 106917983
N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106918664
3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 114071562
3-[(6-chloro-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103888883
3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 113401644
2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 113401382
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 113400905

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide (CID 106918706) is 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide is CCOCc1nc(NC)cc(N(C)CC(C)C(=O)NC)n1.
What is the InChIKey of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is WQNYTLJEJXJGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-6-21-9-12-17-11(15-3)7-13(18-12)19(5)8-10(2)14(20)16-4/h7,10H,6,8-9H2,1-5H3,(H,16,20)(H,15,17,18).
What are the key properties of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 295.39 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).