4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine

C11H18N4O — CID 80844727

IUPAC4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
SMILESCOCC1CCN(c2nc(N)ncc2C)C1
InChIInChI=1S/C11H18N4O/c1-8-5-13-11(12)14-10(8)15-4-3-9(6-15)7-16-2/h5,9H,3-4,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyPFFBWIQNVNOFIZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds3

About 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine

4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine (PubChem CID 80844727) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
PubChem CID80844727
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
SMILESCOCC1CCN(c2nc(N)ncc2C)C1
InChIInChI=1S/C11H18N4O/c1-8-5-13-11(12)14-10(8)15-4-3-9(6-15)7-16-2/h5,9H,3-4,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyPFFBWIQNVNOFIZ-UHFFFAOYSA-N
XLogP0.84
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
The IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine (CID 80844727) is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine is COCC1CCN(c2nc(N)ncc2C)C1.
What is the InChIKey of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
The InChIKey is PFFBWIQNVNOFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-5-13-11(12)14-10(8)15-4-3-9(6-15)7-16-2/h5,9H,3-4,6-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80844727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).