6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine

C16H21N3O2 — CID 82456516

IUPAC6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCc2ccco2)nc(C2CC2)n1
InChIInChI=1S/C16H21N3O2/c1-2-3-8-21-15-10-14(17-11-13-5-4-9-20-13)18-16(19-15)12-6-7-12/h4-5,9-10,12H,2-3,6-8,11H2,1H3,(H,17,18,19)
InChIKeyKFJBYQLZMIFKJH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.74
Rot. Bonds8

About 6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine

6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 82456516) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
PubChem CID82456516
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCc2ccco2)nc(C2CC2)n1
InChIInChI=1S/C16H21N3O2/c1-2-3-8-21-15-10-14(17-11-13-5-4-9-20-13)18-16(19-15)12-6-7-12/h4-5,9-10,12H,2-3,6-8,11H2,1H3,(H,17,18,19)
InChIKeyKFJBYQLZMIFKJH-UHFFFAOYSA-N
XLogP3.74
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.74
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-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
CID 82456524
N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456733
2-ethyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82454475
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 82456508
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456929
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458125
2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456429
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine (CID 82456516) is 6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine is CCCCOc1cc(NCc2ccco2)nc(C2CC2)n1.
What is the InChIKey of 6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is KFJBYQLZMIFKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-3-8-21-15-10-14(17-11-13-5-4-9-20-13)18-16(19-15)12-6-7-12/h4-5,9-10,12H,2-3,6-8,11H2,1H3,(H,17,18,19).
What are the key properties of 6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine?
6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).