N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine

C13H23N3O2 — CID 66332028

IUPACN-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine
SMILESCC(C)NCCCOc1cc(OC(C)C)ncn1
InChIInChI=1S/C13H23N3O2/c1-10(2)14-6-5-7-17-12-8-13(16-9-15-12)18-11(3)4/h8-11,14H,5-7H2,1-4H3
InChIKeyKHMWLSCLNIFCSK-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.03
Rot. Bonds8

About N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine

N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine (PubChem CID 66332028) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine
PubChem CID66332028
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine
SMILESCC(C)NCCCOc1cc(OC(C)C)ncn1
InChIInChI=1S/C13H23N3O2/c1-10(2)14-6-5-7-17-12-8-13(16-9-15-12)18-11(3)4/h8-11,14H,5-7H2,1-4H3
InChIKeyKHMWLSCLNIFCSK-UHFFFAOYSA-N
XLogP2.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine
CID 114869808
1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
CID 66332838
2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile
CID 62348007
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66325096
1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylpentan-2-amine
CID 66334263
6-propan-2-yloxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 66329378
N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66329609
N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66330376
3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744746
N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine
CID 103289199
3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66331216

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine?
The IUPAC name of N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine (CID 66332028) is N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine is CC(C)NCCCOc1cc(OC(C)C)ncn1.
What is the InChIKey of N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine?
The InChIKey is KHMWLSCLNIFCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)14-6-5-7-17-12-8-13(16-9-15-12)18-11(3)4/h8-11,14H,5-7H2,1-4H3.
What are the key properties of N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine?
N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine is sourced from PubChem (CID 66332028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).