3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol

C13H23N3O2 — CID 80988731

IUPAC3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
SMILESCCCc1nc(NCC)c(C)c(OCCCO)n1
InChIInChI=1S/C13H23N3O2/c1-4-7-11-15-12(14-5-2)10(3)13(16-11)18-9-6-8-17/h17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyNUEWBQQJIQVYIL-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.93
Rot. Bonds8

About 3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol

3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol (PubChem CID 80988731) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
PubChem CID80988731
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
SMILESCCCc1nc(NCC)c(C)c(OCCCO)n1
InChIInChI=1S/C13H23N3O2/c1-4-7-11-15-12(14-5-2)10(3)13(16-11)18-9-6-8-17/h17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyNUEWBQQJIQVYIL-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

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol
CID 114216875
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
CID 106451466
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146
2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxyethanol
CID 80989436
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
CID 80989305
N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine
CID 80989853

Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol (CID 80988731) is 3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol is CCCc1nc(NCC)c(C)c(OCCCO)n1.
What is the InChIKey of 3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol?
The InChIKey is NUEWBQQJIQVYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-7-11-15-12(14-5-2)10(3)13(16-11)18-9-6-8-17/h17H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol?
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol 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 3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol is sourced from PubChem (CID 80988731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).