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

C13H23N5O2 — CID 106918557

IUPAC3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCCOCc1nc(NC)cc(N(C)CCC(=O)NC)n1
InChIInChI=1S/C13H23N5O2/c1-5-20-9-11-16-10(14-2)8-12(17-11)18(4)7-6-13(19)15-3/h8H,5-7,9H2,1-4H3,(H,15,19)(H,14,16,17)
InChIKeySSKHFHSRPKTFHA-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.63
Rot. Bonds8

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

3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide (PubChem CID 106918557) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
PubChem CID106918557
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCCOCc1nc(NC)cc(N(C)CCC(=O)NC)n1
InChIInChI=1S/C13H23N5O2/c1-5-20-9-11-16-10(14-2)8-12(17-11)18(4)7-6-13(19)15-3/h8H,5-7,9H2,1-4H3,(H,15,19)(H,14,16,17)
InChIKeySSKHFHSRPKTFHA-UHFFFAOYSA-N
XLogP0.63
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918706
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918578
2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80933276
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 115915730
3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 113401644
2-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]-ethylamino]acetamide
CID 103104342
3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918446
3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917442
6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-(ethoxymethyl)-N-methylpyrimidin-4-amine
CID 102741308
2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 113401862
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide (CID 106918557) is 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide is CCOCc1nc(NC)cc(N(C)CCC(=O)NC)n1.
What is the InChIKey of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The InChIKey is SSKHFHSRPKTFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-5-20-9-11-16-10(14-2)8-12(17-11)18(4)7-6-13(19)15-3/h8H,5-7,9H2,1-4H3,(H,15,19)(H,14,16,17).
What are the key properties of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 0.63, 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-methylpropanamide is sourced from PubChem (CID 106918557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).