4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine

C18H26N4 — CID 56706150

IUPAC4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1c1cc(C2CCNCC2)ncn1
InChIInChI=1S/C18H26N4/c1-3-5-16-7-4-6-14(2)22(16)18-12-17(20-13-21-18)15-8-10-19-11-9-15/h3-4,6,12-16,19H,1,5,7-11H2,2H3/t14-,16-/m1/s1
InChIKeyHZLDZJACRSANPV-GDBMZVCRSA-N
MW298.43 g/mol
LogP3.04
Rot. Bonds4

About 4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine

4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine (PubChem CID 56706150) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine
PubChem CID56706150
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1c1cc(C2CCNCC2)ncn1
InChIInChI=1S/C18H26N4/c1-3-5-16-7-4-6-14(2)22(16)18-12-17(20-13-21-18)15-8-10-19-11-9-15/h3-4,6,12-16,19H,1,5,7-11H2,2H3/t14-,16-/m1/s1
InChIKeyHZLDZJACRSANPV-GDBMZVCRSA-N
XLogP3.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-6-piperidin-4-ylpyrimidine
CID 83847190
4-cyclobutyl-6-piperidin-4-ylpyrimidine
CID 83849257
ethane;4-methyl-6-piperidin-4-ylpyrimidine
CID 156866594
(3aR,7aS)-5-methyl-2-(6-piperidin-4-ylpyrimidin-4-yl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 56722184
7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane
CID 171337916
6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 56701175
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 126848081
[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97131261
3-(benzotriazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 56753950
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride
CID 171687273

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine?
The IUPAC name of 4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine (CID 56706150) is 4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine.
What is the SMILES notation for 4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine?
The canonical SMILES for 4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine is C=CC[C@@H]1CC=C[C@@H](C)N1c1cc(C2CCNCC2)ncn1.
What is the InChIKey of 4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine?
The InChIKey is HZLDZJACRSANPV-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-5-16-7-4-6-14(2)22(16)18-12-17(20-13-21-18)15-8-10-19-11-9-15/h3-4,6,12-16,19H,1,5,7-11H2,2H3/t14-,16-/m1/s1.
What are the key properties of 4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine?
4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine has a molecular weight of 298.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-6-piperidin-4-ylpyrimidine is sourced from PubChem (CID 56706150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).