4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine

C20H32N4O — CID 56904542

IUPAC4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
SMILESCC(C)=CCCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C20H32N4O/c1-16(2)5-4-8-23-9-6-18(7-10-23)19-15-20(22-17(3)21-19)24-11-13-25-14-12-24/h5,15,18H,4,6-14H2,1-3H3
InChIKeyMHWAXWRTOOBKRP-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.16
Rot. Bonds5

About 4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine

4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine (PubChem CID 56904542) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
PubChem CID56904542
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
SMILESCC(C)=CCCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C20H32N4O/c1-16(2)5-4-8-23-9-6-18(7-10-23)19-15-20(22-17(3)21-19)24-11-13-25-14-12-24/h5,15,18H,4,6-14H2,1-3H3
InChIKeyMHWAXWRTOOBKRP-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine (CID 56904542) is 4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine is CC(C)=CCCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1.
What is the InChIKey of 4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
The InChIKey is MHWAXWRTOOBKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(2)5-4-8-23-9-6-18(7-10-23)19-15-20(22-17(3)21-19)24-11-13-25-14-12-24/h5,15,18H,4,6-14H2,1-3H3.
What are the key properties of 4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine has a molecular weight of 344.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[1-(4-methylpent-3-enyl)piperidin-4-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 56904542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).