1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol

C9H16N4O3 — CID 140746516

IUPAC1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol
SMILESCCOc1nc(N)nc(OC(O)CC)c1N
InChIInChI=1S/C9H16N4O3/c1-3-5(14)16-8-6(10)7(15-4-2)12-9(11)13-8/h5,14H,3-4,10H2,1-2H3,(H2,11,12,13)
InChIKeyVRFIXRJAPMPORQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.15
Rot. Bonds5

About 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol

1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol (PubChem CID 140746516) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol.

Molecular Properties

Compound Name1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol
PubChem CID140746516
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol
SMILESCCOc1nc(N)nc(OC(O)CC)c1N
InChIInChI=1S/C9H16N4O3/c1-3-5(14)16-8-6(10)7(15-4-2)12-9(11)13-8/h5,14H,3-4,10H2,1-2H3,(H2,11,12,13)
InChIKeyVRFIXRJAPMPORQ-UHFFFAOYSA-N
XLogP0.15
TPSA116.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol
CID 118188233
4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine
CID 118167358
1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol
CID 140746517
(2,5-diamino-6-ethoxypyrimidin-4-yl) benzoate
CID 122601852
4-ethoxy-5-ethyl-6-methylpyrimidin-2-amine
CID 13300943
4-ethoxypyrimidine-2,5-diamine
CID 119098064
6-ethoxy-7H-purine-2,8-diamine
CID 70356487
4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
6-ethoxy-2-methylpyrimidine-4,5-diamine
CID 82455416
2-amino-4-ethoxypyrimidine-5-carboxamide
CID 143881535
6-ethoxy-7-methylpurin-2-amine
CID 71574002
4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877469

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol?
The IUPAC name of 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol (CID 140746516) is 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol.
What is the SMILES notation for 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol?
The canonical SMILES for 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol is CCOc1nc(N)nc(OC(O)CC)c1N.
What is the InChIKey of 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol?
The InChIKey is VRFIXRJAPMPORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-3-5(14)16-8-6(10)7(15-4-2)12-9(11)13-8/h5,14H,3-4,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol?
1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol has a molecular weight of 228.25 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol is sourced from PubChem (CID 140746516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).