6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine

C16H27N3O2 — CID 80955664

IUPAC6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
SMILESCCCCOCCOc1cc(NCCC)nc(C2CC2)n1
InChIInChI=1S/C16H27N3O2/c1-3-5-9-20-10-11-21-15-12-14(17-8-4-2)18-16(19-15)13-6-7-13/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyFOXWGAUTNUGKOM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.37
Rot. Bonds11

About 6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine

6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine (PubChem CID 80955664) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
PubChem CID80955664
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
SMILESCCCCOCCOc1cc(NCCC)nc(C2CC2)n1
InChIInChI=1S/C16H27N3O2/c1-3-5-9-20-10-11-21-15-12-14(17-8-4-2)18-16(19-15)13-6-7-13/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyFOXWGAUTNUGKOM-UHFFFAOYSA-N
XLogP3.37
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.37
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

2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 82456508
6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 82458423
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine
CID 103408531
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
4-N-(2-butoxyethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80957513
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456458
6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
CID 82456524
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
CID 82456362

Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine (CID 80955664) is 6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine is CCCCOCCOc1cc(NCCC)nc(C2CC2)n1.
What is the InChIKey of 6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine?
The InChIKey is FOXWGAUTNUGKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-5-9-20-10-11-21-15-12-14(17-8-4-2)18-16(19-15)13-6-7-13/h12-13H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine?
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.37, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80955664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).