1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol

C10H18N4O3 — CID 140746517

IUPAC1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol
SMILESCC(C)COc1nc(N)nc(OC(C)O)c1N
InChIInChI=1S/C10H18N4O3/c1-5(2)4-16-8-7(11)9(17-6(3)15)14-10(12)13-8/h5-6,15H,4,11H2,1-3H3,(H2,12,13,14)
InChIKeyXHULLBIBDWNURA-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.39
Rot. Bonds5

About 1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol

1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol (PubChem CID 140746517) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol.

Molecular Properties

Compound Name1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol
PubChem CID140746517
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol
SMILESCC(C)COc1nc(N)nc(OC(C)O)c1N
InChIInChI=1S/C10H18N4O3/c1-5(2)4-16-8-7(11)9(17-6(3)15)14-10(12)13-8/h5-6,15H,4,11H2,1-3H3,(H2,12,13,14)
InChIKeyXHULLBIBDWNURA-UHFFFAOYSA-N
XLogP0.39
TPSA116.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine
CID 118167296
[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate
CID 118188213
[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N-ethylcarbamate
CID 122601855
1-(2,5-diamino-6-ethoxypyrimidin-4-yl)oxypropan-1-ol
CID 140746516
5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine
CID 80859676
4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331483
6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458321
2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455747
3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine
CID 166995843
5-bromo-3-(2-methylpropoxy)pyrazin-2-amine
CID 46942042
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
3-(2-methylpropoxy)quinoxalin-2-amine
CID 102987688

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol?
The IUPAC name of 1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol (CID 140746517) is 1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol.
What is the SMILES notation for 1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol?
The canonical SMILES for 1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol is CC(C)COc1nc(N)nc(OC(C)O)c1N.
What is the InChIKey of 1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol?
The InChIKey is XHULLBIBDWNURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-5(2)4-16-8-7(11)9(17-6(3)15)14-10(12)13-8/h5-6,15H,4,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol?
1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol has a molecular weight of 242.28 g/mol, XLogP of 0.39, 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-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol is sourced from PubChem (CID 140746517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).