6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine

C11H19N3O2 — CID 80965218

IUPAC6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCOCCCOc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)11-13-9(12)7-10(14-11)16-6-4-5-15-3/h7-8H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyFOPWWPFDJGELCA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.60
Rot. Bonds6

About 6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine

6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80965218) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80965218
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCOCCCOc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)11-13-9(12)7-10(14-11)16-6-4-5-15-3/h7-8H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyFOPWWPFDJGELCA-UHFFFAOYSA-N
XLogP1.60
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.60
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

6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80965282
6-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966278
6-[(3-methoxyphenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80965542
6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine
CID 103408444
6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80963380
6-[3-(2-methoxyethoxy)propoxy]-2-propylpyrimidin-4-amine
CID 103408442
4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957424
4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961650
[2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine
CID 103180842
6-(oxetan-3-yloxy)-2-propan-2-ylpyrimidin-4-amine
CID 102608819
6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679
4-chloro-6-octoxy-2-propan-2-ylpyrimidine
CID 80948934

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine (CID 80965218) is 6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine is COCCCOc1cc(N)nc(C(C)C)n1.
What is the InChIKey of 6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is FOPWWPFDJGELCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)11-13-9(12)7-10(14-11)16-6-4-5-15-3/h7-8H,4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine?
6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 225.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80965218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).