N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine

C14H23N3O3 — CID 82457692

IUPACN-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCCOCCCNc1cc(OC)nc(C2CCCO2)n1
InChIInChI=1S/C14H23N3O3/c1-3-19-8-5-7-15-12-10-13(18-2)17-14(16-12)11-6-4-9-20-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyNBOGVIZBVRMOEW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.18
Rot. Bonds8

About N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine

N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine (PubChem CID 82457692) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
PubChem CID82457692
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCCOCCCNc1cc(OC)nc(C2CCCO2)n1
InChIInChI=1S/C14H23N3O3/c1-3-19-8-5-7-15-12-10-13(18-2)17-14(16-12)11-6-4-9-20-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyNBOGVIZBVRMOEW-UHFFFAOYSA-N
XLogP2.18
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
CID 82456362
6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
CID 82457782
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457717
6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457894
N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine
CID 82453767
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457767
N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
CID 82458344
6-(3-ethoxypropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457595
N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457723
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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine (CID 82457692) is N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine is CCOCCCNc1cc(OC)nc(C2CCCO2)n1.
What is the InChIKey of N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The InChIKey is NBOGVIZBVRMOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-19-8-5-7-15-12-10-13(18-2)17-14(16-12)11-6-4-9-20-11/h10-11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 82457692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).