2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol

C13H23N3O2 — CID 80989648

IUPAC2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
SMILESCCCNc1nc(CCC)nc(OCCO)c1C
InChIInChI=1S/C13H23N3O2/c1-4-6-11-15-12(14-7-5-2)10(3)13(16-11)18-9-8-17/h17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyGENSCENCEOJHCC-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.93
Rot. Bonds8

About 2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol

2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol (PubChem CID 80989648) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
PubChem CID80989648
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
SMILESCCCNc1nc(CCC)nc(OCCO)c1C
InChIInChI=1S/C13H23N3O2/c1-4-6-11-15-12(14-7-5-2)10(3)13(16-11)18-9-8-17/h17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyGENSCENCEOJHCC-UHFFFAOYSA-N
XLogP1.93
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
CID 80989305
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
5-methyl-6-(2-propan-2-yloxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80988691
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxyethanol
CID 80989436
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
CID 102989455
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365
5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine
CID 80989176
N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
CID 106451466
6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 106795374

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol?
The IUPAC name of 2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol (CID 80989648) is 2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol?
The canonical SMILES for 2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol is CCCNc1nc(CCC)nc(OCCO)c1C.
What is the InChIKey of 2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol?
The InChIKey is GENSCENCEOJHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-6-11-15-12(14-7-5-2)10(3)13(16-11)18-9-8-17/h17H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol?
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol has a molecular weight of 253.35 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol is sourced from PubChem (CID 80989648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).