2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine

C13H21N3O2 — CID 82456362

IUPAC2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
SMILESCCOCCCNc1cc(OC)nc(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-3-18-8-4-7-14-11-9-12(17-2)16-13(15-11)10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyBIDBXNBIPRMRAW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.20
Rot. Bonds8

About 2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine

2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine (PubChem CID 82456362) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
PubChem CID82456362
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
SMILESCCOCCCNc1cc(OC)nc(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-3-18-8-4-7-14-11-9-12(17-2)16-13(15-11)10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyBIDBXNBIPRMRAW-UHFFFAOYSA-N
XLogP2.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.20
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-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456372
N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
CID 82458344
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine
CID 82453767
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 82456540
2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 82458360
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine
CID 103408531

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine (CID 82456362) is 2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine is CCOCCCNc1cc(OC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine?
The InChIKey is BIDBXNBIPRMRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-18-8-4-7-14-11-9-12(17-2)16-13(15-11)10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine?
2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 82456362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).