2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine

C15H25N3O3 — CID 103408531

IUPAC2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine
SMILESCCNc1cc(OCCCOCCOC)nc(C2CC2)n1
InChIInChI=1S/C15H25N3O3/c1-3-16-13-11-14(18-15(17-13)12-5-6-12)21-8-4-7-20-10-9-19-2/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyOXCYKMQLUPJWQT-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.22
Rot. Bonds11

About 2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine

2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine (PubChem CID 103408531) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine
PubChem CID103408531
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine
SMILESCCNc1cc(OCCCOCCOC)nc(C2CC2)n1
InChIInChI=1S/C15H25N3O3/c1-3-16-13-11-14(18-15(17-13)12-5-6-12)21-8-4-7-20-10-9-19-2/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyOXCYKMQLUPJWQT-UHFFFAOYSA-N
XLogP2.22
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80957729
2-cyclopropyl-N-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794820
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
CID 103176424
6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966700
2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471097
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 82456540
2-cyclopropyl-N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80965957
6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 82458423
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
CID 82456362

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine (CID 103408531) is 2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine is CCNc1cc(OCCCOCCOC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine?
The InChIKey is OXCYKMQLUPJWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-16-13-11-14(18-15(17-13)12-5-6-12)21-8-4-7-20-10-9-19-2/h11-12H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine has a molecular weight of 295.38 g/mol, XLogP of 2.22, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine is sourced from PubChem (CID 103408531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).