4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine

C12H19N5O2 — CID 171359529

IUPAC4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(NC2COCC2N2CCOCC2)n1
InChIInChI=1S/C12H19N5O2/c13-12-14-2-1-11(16-12)15-9-7-19-8-10(9)17-3-5-18-6-4-17/h1-2,9-10H,3-8H2,(H3,13,14,15,16)
InChIKeyVOSTVDFPPHQVAT-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.43
Rot. Bonds3

About 4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine

4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 171359529) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID171359529
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(NC2COCC2N2CCOCC2)n1
InChIInChI=1S/C12H19N5O2/c13-12-14-2-1-11(16-12)15-9-7-19-8-10(9)17-3-5-18-6-4-17/h1-2,9-10H,3-8H2,(H3,13,14,15,16)
InChIKeyVOSTVDFPPHQVAT-UHFFFAOYSA-N
XLogP-0.43
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine (CID 171359529) is 4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine is Nc1nccc(NC2COCC2N2CCOCC2)n1.
What is the InChIKey of 4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is VOSTVDFPPHQVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-12-14-2-1-11(16-12)15-9-7-19-8-10(9)17-3-5-18-6-4-17/h1-2,9-10H,3-8H2,(H3,13,14,15,16).
What are the key properties of 4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine?
4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 265.32 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 171359529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).