6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine

C11H18N4O2 — CID 155687446

IUPAC6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNC1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-16-11-9(10(12)14-7-15-11)6-13-8-2-4-17-5-3-8/h7-8,13H,2-6H2,1H3,(H2,12,14,15)
InChIKeyOHMZODCMYGUJMX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.34
Rot. Bonds4

About 6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine

6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine (PubChem CID 155687446) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine
PubChem CID155687446
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNC1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-16-11-9(10(12)14-7-15-11)6-13-8-2-4-17-5-3-8/h7-8,13H,2-6H2,1H3,(H2,12,14,15)
InChIKeyOHMZODCMYGUJMX-UHFFFAOYSA-N
XLogP0.34
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine (CID 155687446) is 6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine is COc1ncnc(N)c1CNC1CCOCC1.
What is the InChIKey of 6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
The InChIKey is OHMZODCMYGUJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-16-11-9(10(12)14-7-15-11)6-13-8-2-4-17-5-3-8/h7-8,13H,2-6H2,1H3,(H2,12,14,15).
What are the key properties of 6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine has a molecular weight of 238.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 155687446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).