N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine

C11H20N4O2 — CID 112639457

IUPACN-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCCOCCN)n1
InChIInChI=1S/C11H20N4O2/c1-9(2)17-10-3-5-13-11(15-10)14-6-8-16-7-4-12/h3,5,9H,4,6-8,12H2,1-2H3,(H,13,14,15)
InChIKeySKUIVLHGSOUWSQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.65
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine

N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112639457) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112639457
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCCOCCN)n1
InChIInChI=1S/C11H20N4O2/c1-9(2)17-10-3-5-13-11(15-10)14-6-8-16-7-4-12/h3,5,9H,4,6-8,12H2,1-2H3,(H,13,14,15)
InChIKeySKUIVLHGSOUWSQ-UHFFFAOYSA-N
XLogP0.65
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 114151108
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 114384250
N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975353
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636067
N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638872
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine (CID 112639457) is N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCCOCCN)n1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is SKUIVLHGSOUWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9(2)17-10-3-5-13-11(15-10)14-6-8-16-7-4-12/h3,5,9H,4,6-8,12H2,1-2H3,(H,13,14,15).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112639457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).