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

C16H25N3O2 — CID 82456522

IUPAC6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCC2CCCO2)nc(C2CC2)n1
InChIInChI=1S/C16H25N3O2/c1-2-3-8-21-15-10-14(17-11-13-5-4-9-20-13)18-16(19-15)12-6-7-12/h10,12-13H,2-9,11H2,1H3,(H,17,18,19)
InChIKeyLZINJEWJWWDFLM-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.12
Rot. Bonds8

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

6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 82456522) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID82456522
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCC2CCCO2)nc(C2CC2)n1
InChIInChI=1S/C16H25N3O2/c1-2-3-8-21-15-10-14(17-11-13-5-4-9-20-13)18-16(19-15)12-6-7-12/h10,12-13H,2-9,11H2,1H3,(H,17,18,19)
InChIKeyLZINJEWJWWDFLM-UHFFFAOYSA-N
XLogP3.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.12
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-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456917
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552
6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
CID 82456524
6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82453883
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
2-cyclopropyl-6-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80961722
2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456935
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-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80963825

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 82456522) is 6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is CCCCOc1cc(NCC2CCCO2)nc(C2CC2)n1.
What is the InChIKey of 6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is LZINJEWJWWDFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-3-8-21-15-10-14(17-11-13-5-4-9-20-13)18-16(19-15)12-6-7-12/h10,12-13H,2-9,11H2,1H3,(H,17,18,19).
What are the key properties of 6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 291.40 g/mol, XLogP of 3.12, 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-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).