N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine

C18H30N4O — CID 56704383

IUPACN-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine
SMILESCCN(CC1CCOCC1)c1cc(C2CCNCC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-3-22(13-15-6-10-23-11-7-15)18-12-17(20-14(2)21-18)16-4-8-19-9-5-16/h12,15-16,19H,3-11,13H2,1-2H3
InChIKeyPSUILBCEWVHBOQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine

N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 56704383) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID56704383
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine
SMILESCCN(CC1CCOCC1)c1cc(C2CCNCC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-3-22(13-15-6-10-23-11-7-15)18-12-17(20-14(2)21-18)16-4-8-19-9-5-16/h12,15-16,19H,3-11,13H2,1-2H3
InChIKeyPSUILBCEWVHBOQ-UHFFFAOYSA-N
XLogP2.50
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine (CID 56704383) is N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine is CCN(CC1CCOCC1)c1cc(C2CCNCC2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is PSUILBCEWVHBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-22(13-15-6-10-23-11-7-15)18-12-17(20-14(2)21-18)16-4-8-19-9-5-16/h12,15-16,19H,3-11,13H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine?
N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 318.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(oxan-4-ylmethyl)-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56704383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).