3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine

C10H17N3O — CID 117229894

IUPAC3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine
SMILESCC(C)c1ncc(OCCCN)cn1
InChIInChI=1S/C10H17N3O/c1-8(2)10-12-6-9(7-13-10)14-5-3-4-11/h6-8H,3-5,11H2,1-2H3
InChIKeyNITZOGZKYHCEMG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.33
Rot. Bonds5

About 3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine

3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine (PubChem CID 117229894) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine
PubChem CID117229894
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine
SMILESCC(C)c1ncc(OCCCN)cn1
InChIInChI=1S/C10H17N3O/c1-8(2)10-12-6-9(7-13-10)14-5-3-4-11/h6-8H,3-5,11H2,1-2H3
InChIKeyNITZOGZKYHCEMG-UHFFFAOYSA-N
XLogP1.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propan-2-ylpyrimidin-5-yl)oxyacetonitrile
CID 176649876
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
1-(5-butoxypyrimidin-2-yl)ethanol
CID 170050824
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
5-(2-aminoethoxy)pyrimidin-2-amine
CID 117229813
5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane
CID 169118529
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 62298226
3-(1,2-thiazol-4-yloxy)propan-1-amine
CID 117230054
2-(5-butoxy-2-pyridinyl)ethanamine
CID 79799974
4-(3-aminopropoxy)pyrazol-1-amine
CID 117229962
(2-propan-2-ylpyrimidin-5-yl)methanediol
CID 174297628

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine?
The IUPAC name of 3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine (CID 117229894) is 3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine?
The canonical SMILES for 3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine is CC(C)c1ncc(OCCCN)cn1.
What is the InChIKey of 3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine?
The InChIKey is NITZOGZKYHCEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)10-12-6-9(7-13-10)14-5-3-4-11/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine?
3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine is sourced from PubChem (CID 117229894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).