3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide

C10H17N5O2 — CID 113409561

IUPAC3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ncncc1N
InChIInChI=1S/C10H17N5O2/c1-17-5-4-13-9(16)2-3-14-10-8(11)6-12-7-15-10/h6-7H,2-5,11H2,1H3,(H,13,16)(H,12,14,15)
InChIKeyRTBICGFBOXXLCC-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.38
Rot. Bonds7

About 3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide

3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 113409561) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID113409561
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ncncc1N
InChIInChI=1S/C10H17N5O2/c1-17-5-4-13-9(16)2-3-14-10-8(11)6-12-7-15-10/h6-7H,2-5,11H2,1H3,(H,13,16)(H,12,14,15)
InChIKeyRTBICGFBOXXLCC-UHFFFAOYSA-N
XLogP-0.38
TPSA102.16 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 ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(5-aminopyrimidin-4-yl)amino]propanoate
CID 79918514
N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79917896
methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate
CID 79908313
2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 112686364
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104923993
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090
3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114476137
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine
CID 79915723
N-(2-methoxyethyl)-3-(pyridin-2-ylamino)propanamide
CID 47371043
3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104777242
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106964385

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide (CID 113409561) is 3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1ncncc1N.
What is the InChIKey of 3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is RTBICGFBOXXLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-17-5-4-13-9(16)2-3-14-10-8(11)6-12-7-15-10/h6-7H,2-5,11H2,1H3,(H,13,16)(H,12,14,15).
What are the key properties of 3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 239.28 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113409561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).