6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine

C17H29N3O2 — CID 82457782

IUPAC6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1cc(OCC(C)C)nc(C2CCCO2)n1
InChIInChI=1S/C17H29N3O2/c1-4-5-6-9-18-15-11-16(22-12-13(2)3)20-17(19-15)14-8-7-10-21-14/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyREOOOXOPYZXBQG-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.96
Rot. Bonds9

About 6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine

6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine (PubChem CID 82457782) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
PubChem CID82457782
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1cc(OCC(C)C)nc(C2CCCO2)n1
InChIInChI=1S/C17H29N3O2/c1-4-5-6-9-18-15-11-16(22-12-13(2)3)20-17(19-15)14-8-7-10-21-14/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyREOOOXOPYZXBQG-UHFFFAOYSA-N
XLogP3.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.96
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-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457767
6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457787
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
CID 82457901
N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457723
6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457803
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457926
2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458412
N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide
CID 82463284
2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457771

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine (CID 82457782) is 6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine is CCCCCNc1cc(OCC(C)C)nc(C2CCCO2)n1.
What is the InChIKey of 6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine?
The InChIKey is REOOOXOPYZXBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-5-6-9-18-15-11-16(22-12-13(2)3)20-17(19-15)14-8-7-10-21-14/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine?
6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine has a molecular weight of 307.44 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine is sourced from PubChem (CID 82457782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).