N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine

C13H23N3O3 — CID 44577415

IUPACN-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine
SMILESCOCCNc1cc(OC(C)C)nc(OC(C)C)n1
InChIInChI=1S/C13H23N3O3/c1-9(2)18-12-8-11(14-6-7-17-5)15-13(16-12)19-10(3)4/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyQWJSKUBBHKFOHJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.11
Rot. Bonds8

About N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine

N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine (PubChem CID 44577415) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine
PubChem CID44577415
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine
SMILESCOCCNc1cc(OC(C)C)nc(OC(C)C)n1
InChIInChI=1S/C13H23N3O3/c1-9(2)18-12-8-11(14-6-7-17-5)15-13(16-12)19-10(3)4/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyQWJSKUBBHKFOHJ-UHFFFAOYSA-N
XLogP2.11
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine (CID 44577415) is N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine is COCCNc1cc(OC(C)C)nc(OC(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine?
The InChIKey is QWJSKUBBHKFOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)18-12-8-11(14-6-7-17-5)15-13(16-12)19-10(3)4/h8-10H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine?
N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine has a molecular weight of 269.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 44577415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).