2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine

C11H18N4O — CID 106585802

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine
SMILESCOCC1CCCN(c2ncc(N)cn2)C1
InChIInChI=1S/C11H18N4O/c1-16-8-9-3-2-4-15(7-9)11-13-5-10(12)6-14-11/h5-6,9H,2-4,7-8,12H2,1H3
InChIKeyUGIPBZRIEGMMIH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.92
Rot. Bonds3

About 2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine

2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine (PubChem CID 106585802) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine
PubChem CID106585802
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine
SMILESCOCC1CCCN(c2ncc(N)cn2)C1
InChIInChI=1S/C11H18N4O/c1-16-8-9-3-2-4-15(7-9)11-13-5-10(12)6-14-11/h5-6,9H,2-4,7-8,12H2,1H3
InChIKeyUGIPBZRIEGMMIH-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine (CID 106585802) is 2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine is COCC1CCCN(c2ncc(N)cn2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine?
The InChIKey is UGIPBZRIEGMMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-8-9-3-2-4-15(7-9)11-13-5-10(12)6-14-11/h5-6,9H,2-4,7-8,12H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine?
2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine has a molecular weight of 222.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 106585802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).