N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine

C15H25N3O2 — CID 82457767

IUPACN-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC(C)C)nc(C2CCCO2)n1
InChIInChI=1S/C15H25N3O2/c1-4-7-20-14-9-13(16-10-11(2)3)17-15(18-14)12-6-5-8-19-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyXBOCXMOGEMGGSW-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.18
Rot. Bonds7

About N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine

N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine (PubChem CID 82457767) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
PubChem CID82457767
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC(C)C)nc(C2CCCO2)n1
InChIInChI=1S/C15H25N3O2/c1-4-7-20-14-9-13(16-10-11(2)3)17-15(18-14)12-6-5-8-19-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyXBOCXMOGEMGGSW-UHFFFAOYSA-N
XLogP3.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
CID 82457782
2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457771
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457723
6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457803
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457787
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
6-tert-butyl-N-ethyl-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65328095
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine (CID 82457767) is N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine is CCCOc1cc(NCC(C)C)nc(C2CCCO2)n1.
What is the InChIKey of N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine?
The InChIKey is XBOCXMOGEMGGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-7-20-14-9-13(16-10-11(2)3)17-15(18-14)12-6-5-8-19-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine?
N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine has a molecular weight of 279.38 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82457767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).