3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide

C10H17N5O2 — CID 113401379

IUPAC3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide
SMILESCCOCc1nc(N)cc(NCCC(N)=O)n1
InChIInChI=1S/C10H17N5O2/c1-2-17-6-10-14-7(11)5-9(15-10)13-4-3-8(12)16/h5H,2-4,6H2,1H3,(H2,12,16)(H3,11,13,14,15)
InChIKeyAESKUGKQZVUUSP-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.12
Rot. Bonds7

About 3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide

3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide (PubChem CID 113401379) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide
PubChem CID113401379
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide
SMILESCCOCc1nc(N)cc(NCCC(N)=O)n1
InChIInChI=1S/C10H17N5O2/c1-2-17-6-10-14-7(11)5-9(15-10)13-4-3-8(12)16/h5H,2-4,6H2,1H3,(H2,12,16)(H3,11,13,14,15)
InChIKeyAESKUGKQZVUUSP-UHFFFAOYSA-N
XLogP-0.12
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 114174651
1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159530
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 114143246
6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80954256
2-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]-ethylamino]acetamide
CID 103104342
2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 113401566
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide (CID 113401379) is 3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide is CCOCc1nc(N)cc(NCCC(N)=O)n1.
What is the InChIKey of 3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide?
The InChIKey is AESKUGKQZVUUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-17-6-10-14-7(11)5-9(15-10)13-4-3-8(12)16/h5H,2-4,6H2,1H3,(H2,12,16)(H3,11,13,14,15).
What are the key properties of 3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide?
3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 239.28 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 113401379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).