[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine

C12H20N4O2 — CID 112622803

IUPAC[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
SMILESCOc1cc(N2CCC(OC)CC2CN)ncn1
InChIInChI=1S/C12H20N4O2/c1-17-10-3-4-16(9(5-10)7-13)11-6-12(18-2)15-8-14-11/h6,8-10H,3-5,7,13H2,1-2H3
InChIKeyLRDCNSMLUYOGPX-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.43
Rot. Bonds4

About [4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine

[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine (PubChem CID 112622803) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is [4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
PubChem CID112622803
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
SMILESCOc1cc(N2CCC(OC)CC2CN)ncn1
InChIInChI=1S/C12H20N4O2/c1-17-10-3-4-16(9(5-10)7-13)11-6-12(18-2)15-8-14-11/h6,8-10H,3-5,7,13H2,1-2H3
InChIKeyLRDCNSMLUYOGPX-UHFFFAOYSA-N
XLogP0.43
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine (CID 112622803) is [4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine is COc1cc(N2CCC(OC)CC2CN)ncn1.
What is the InChIKey of [4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine?
The InChIKey is LRDCNSMLUYOGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-17-10-3-4-16(9(5-10)7-13)11-6-12(18-2)15-8-14-11/h6,8-10H,3-5,7,13H2,1-2H3.
What are the key properties of [4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine?
[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 112622803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).